SCHEMBL798519

SCHEMBL798519

CC(C)c1ccc2nc(C(C)C)sc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.67
NPC1 O15118 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
SCN4A P35499 1/20 0.67
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ALOX5 P09917 1/20 0.43
MAPT P10636 2/20 0.42
PAX8 Q06710 1/20 0.42
NOD2 Q9HC29 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LRRK2 Q5S007 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
PARP15 Q460N3 1/20 0.40
PARP10 Q53GL7 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.39
AKR1B1 P15121 1/20 0.38
CASR P41180 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL888881 0.86 RAB9A (0.51) RAB9ANPC1SMN1; SMN2SCN4AMEN1
SCHEMBL889391 0.85 RAB9A (0.49) RAB9ANPC1SMN1; SMN2SCN4AMEN1
SCHEMBL12591857 0.81 RAB9A (0.58) RAB9ANPC1SMN1; SMN2SCN4AMEN1
SCHEMBL2609433 0.81 SMN1; SMN2 (0.67) RAB9ANPC1SMN1; SMN2SCN4AMEN1
SCHEMBL2609448 0.80 NPC1 (0.51) RAB9ANPC1SMN1; SMN2SCN4AMEN1
SCHEMBL20049512 0.80 RAB9A (0.44) RAB9ANPC1SMN1; SMN2SCN4AMEN1
SCHEMBL19398571 0.80 RAB9A (0.65) RAB9ANPC1SMN1; SMN2SCN4AMEN1
SCHEMBL15801269 0.80 RAB9A (0.65) RAB9ANPC1SMN1; SMN2SCN4AMEN1
SCHEMBL1309315 0.80 RAB9A (1.00) RAB9ANPC1SMN1; SMN2SCN4AMEN1
SCHEMBL11796059 0.80 SMN1; SMN2 (0.61) RAB9ANPC1SMN1; SMN2SCN4AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11731986-B2 Inhibitors of low molecular weight protein tyrosine phosphatase (LMPTP) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-08-22 US disclosed
US-11731986-B2 Inhibitors of low molecular weight protein tyrosine phosphatase (LMPTP) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-08-22 US disclosed
US-20230159573-A1 SMALL MOLECULE STAT PROTEIN DEGRADERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-25 US disclosed
US-20230159573-A1 SMALL MOLECULE STAT PROTEIN DEGRADERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-25 US disclosed
US-20230148448-A9 BENZOTHIAZOLE DERIVATIVES AND 7-AZA-BENZOTHIAZOLE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-05-11 US disclosed
US-20230148448-A9 BENZOTHIAZOLE DERIVATIVES AND 7-AZA-BENZOTHIAZOLE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-05-11 US disclosed
US-20230133504-A1 METHOD OF TREATING GRAFT-VERSUS-HOST DISEASE REGENTS OF THE UNIVERSITY OF MICHIGAN 2023-05-04 US disclosed
US-20230133504-A1 METHOD OF TREATING GRAFT-VERSUS-HOST DISEASE REGENTS OF THE UNIVERSITY OF MICHIGAN 2023-05-04 US disclosed
US-20230029557-A1 INHIBITORS OF LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LMPTP) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2023-02-02 US disclosed
US-11530211-B2 Dihydroindolizinone derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-12-20 US disclosed
US-9163017-B2 Anti-viral compounds ABBVIE INC. (US) 2015-10-20 US disclosed
US-20140213601-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. (US) 2014-07-31 US disclosed
US-8541424-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2013-09-24 US disclosed
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 US disclosed
US-20100168138-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-07-01 US disclosed
US-7713962-B2 Neurofibrillary labels WISTA LABORATORIES LTD. (SG) 2010-05-11 US disclosed
US-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors SIRTRIS PHARMACEUTICALS, INC. (US) 2008-10-09 US disclosed
US-20080219929-A1 Neurofibrillary labels WISTA LABORATORIES, LTD. 2008-09-11 US disclosed
US-7388021-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL MYERS SQUIBB COMPANY (US) 2008-06-17 US disclosed
US-7335652-B2 Neurofibrillary labels WISTA LABORATORIES LTD. (SG) 2008-02-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100168138-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS RAB9A 1535/4885NPC1 81/4885SMN1; SMN2 4141/4885
US-20230029557-A1 INHIBITORS OF LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LMPTP) AND USES THEREOF ACP1, PTPRCAP, PTPRO RAB9A 3126/4885NPC1 3822/4885SMN1; SMN2 4733/4885
US-11731986-B2 Inhibitors of low molecular weight protein tyrosine phosphatase (LMPTP) and uses thereof ACP1, PTPRCAP, PTPRO RAB9A 3126/4885NPC1 3822/4885SMN1; SMN2 4733/4885
US-20140213601-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS RAB9A 1535/4885NPC1 81/4885SMN1; SMN2 4141/4885
US-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors MTTP, CETP, FABP2 RAB9A 2515/4885NPC1 37/4885SMN1; SMN2 4591/4885
US-20230148448-A9 BENZOTHIAZOLE DERIVATIVES AND 7-AZA-BENZOTHIAZOLE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF JAK2, JAK1, JAK3 RAB9A 3000/4885NPC1 2801/4885SMN1; SMN2 4156/4885
US-11530211-B2 Dihydroindolizinone derivative INSR, GPR119, IAPP RAB9A 1776/4885NPC1 1231/4885SMN1; SMN2 2978/4885
US-20230133504-A1 METHOD OF TREATING GRAFT-VERSUS-HOST DISEASE HLA-DRB1, CD74, HLA-C RAB9A 3054/4885NPC1 952/4885SMN1; SMN2 1178/4885
US-20230159573-A1 SMALL MOLECULE STAT PROTEIN DEGRADERS STAT1, STAT3, STAT5A RAB9A 1035/4885NPC1 4078/4885SMN1; SMN2 2923/4885
US-20080219929-A1 Neurofibrillary labels MAPT, PSEN1, PSEN2 RAB9A 2505/4885NPC1 3325/4885SMN1; SMN2 575/4885
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 RAB9A 1096/4885NPC1 1283/4885SMN1; SMN2 3011/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.