SCHEMBL6888843

SCHEMBL6888843

Cc1nc2cc(C(C)C)ccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
SCN10A Q9Y5Y9 1/20 0.42
KDM4E B2RXH2 4/20 0.41
MAPT P10636 3/20 0.41
POLB P06746 2/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MLKL Q8NB16 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HSP90AA1 P07900 1/20 0.40
ESR2 Q92731 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KIF11 P52732 1/20 0.40
HSD17B10 Q99714 2/20 0.39
EIF4A3 P38919 2/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 2/20 0.39

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
SCHEMBL28413241 0.86 ALDH1A1 (0.42) ALDH1A1SCN10AKDM4EMAPTPOLB
SCHEMBL5987543 0.85 ALDH1A1 (0.58) ALDH1A1SCN10AKDM4EMAPTPOLB
SCHEMBL13062631 0.83 SCN10A (0.47) ALDH1A1SCN10AKDM4EMAPTPOLB
SCHEMBL12109783 0.83 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTPOLBHPGD
SCHEMBL889358 0.81 HSD17B10 (0.59) ALDH1A1SCN10AKDM4EPOLBHPGD
SCHEMBL12109798 0.80 IDO1 (0.39) ALDH1A1KDM4EMAPTPOLBNPC1
SCHEMBL18930958 0.80 SCN10A (0.41) ALDH1A1SCN10AKDM4EMAPTNPC1
SCHEMBL5683519 0.80 FABP6 (0.50) ALDH1A1SCN10AKDM4EMAPTNPC1
SCHEMBL9940567 0.80 MLKL (0.43) ALDH1A1SCN10AKDM4EMAPTNPC1
SCHEMBL12936385 0.78 KDM4E (0.41) ALDH1A1SCN10AKDM4EMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365594-A1 THIENOPYRROLE COMPOUNDS GILEAD SCIENCES, INC. 2023-11-16 US disclosed
US-20230322747-A1 OXADIAZOLE HDAC6 INHIBITORS AND USES THEREOF EIKONIZO THERAPEUTICS, INC. (US) 2023-10-12 US disclosed
US-20230322747-A1 OXADIAZOLE HDAC6 INHIBITORS AND USES THEREOF EIKONIZO THERAPEUTICS, INC. (US) 2023-10-12 US disclosed
WO-2023196601-A1 OXADIAZOLE HDAC6 INHIBITORS AND USES THEREOF EIKONIZO THERAPEUTICS, INC. (US) 2023-10-12 WO disclosed
US-20230285378-A1 Anti-Viral Compounds ABBVIE INC. (US) 2023-09-14 US disclosed
WO-2023110936-A1 REVERSIBLE MACROCYCLIC KINASE INHIBITORS NETHERLANDS TRANSLATIONAL RESEARCH CENTER HOLDING B.V (NL) 2023-06-22 WO disclosed
US-20230192671-A1 COMPOUNDS FOR THE TREATMENT OF SARS PURDUE RESEARCH FOUNDATION 2023-06-22 US disclosed
US-20230192671-A1 COMPOUNDS FOR THE TREATMENT OF SARS PURDUE RESEARCH FOUNDATION 2023-06-22 US disclosed
US-11661431-B2 Thienopyrrole compounds GILEAD SCIENCES, INC. (US) 2023-05-30 US disclosed
US-20230133504-A1 METHOD OF TREATING GRAFT-VERSUS-HOST DISEASE REGENTS OF THE UNIVERSITY OF MICHIGAN 2023-05-04 US disclosed
US-20120165313-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2012-06-28 US disclosed
US-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US disclosed
US-20120115918-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2012-05-10 US disclosed
US-20110207699-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-08-25 US disclosed
US-20110092415-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-04-21 US disclosed
US-20110086840-A1 N-7 SUBSTITUTED PURINE AND PYRAZOLOPYRIMINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2011-04-14 US disclosed
US-20110086841-A1 N-9 SUBSTITUTED PURINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2011-04-14 US disclosed
US-20100317568-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-12-16 US disclosed
US-20100267634-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-10-21 US disclosed
WO-2008075109-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2008-06-26 WO 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 (15 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-20230322747-A1 OXADIAZOLE HDAC6 INHIBITORS AND USES THEREOF HDAC6, HDAC1, HDAC11 ALDH1A1 755/4885SCN10A 3368/4885KDM4E 2674/4885
US-20230365594-A1 THIENOPYRROLE COMPOUNDS SSB, TPMT, LCP2 ALDH1A1 2343/4885SCN10A 4197/4885KDM4E 1774/4885
US-20100317568-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885SCN10A 4583/4885KDM4E 2318/4885
US-20100267634-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885SCN10A 4583/4885KDM4E 2318/4885
US-20110086841-A1 N-9 SUBSTITUTED PURINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE ADORA3, ADORA2A, ADORA2B ALDH1A1 308/4885SCN10A 2135/4885KDM4E 3071/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885SCN10A 4583/4885KDM4E 2318/4885
US-20120115918-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885SCN10A 4583/4885KDM4E 2318/4885
US-11661431-B2 Thienopyrrole compounds SSB, TPMT, LCP2 ALDH1A1 2343/4885SCN10A 4197/4885KDM4E 1774/4885
US-20110092415-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885SCN10A 4583/4885KDM4E 2318/4885
US-20230192671-A1 COMPOUNDS FOR THE TREATMENT OF SARS ACE2, ACE, SARS1 ALDH1A1 3093/4885SCN10A 1431/4885KDM4E 3407/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885SCN10A 4583/4885KDM4E 2318/4885
US-20120165313-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE MTOR, TYMS, DTYMK ALDH1A1 4303/4885SCN10A 4154/4885KDM4E 2804/4885
US-20120165322-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA ALDH1A1 2674/4885SCN10A 4150/4885KDM4E 2031/4885
US-20110086840-A1 N-7 SUBSTITUTED PURINE AND PYRAZOLOPYRIMINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE P2RX7, P2RY1, PNP ALDH1A1 349/4885SCN10A 2864/4885KDM4E 4104/4885
US-20230133504-A1 METHOD OF TREATING GRAFT-VERSUS-HOST DISEASE HLA-DRB1, CD74, HLA-C ALDH1A1 291/4885SCN10A 4650/4885KDM4E 3566/4885

“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.