SCHEMBL990011

SCHEMBL990011

CC(C)(C)c1nc(-c2ccc(F)cc2)co1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 3/20 0.41
ENPP1 P22413 1/20 0.41
RAB9A P51151 7/20 0.37
ALDH1A1 P00352 3/20 0.37
ALOX5 P09917 1/20 0.37
KMT2A Q03164 1/20 0.36
NPC1 O15118 5/20 0.36
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
BRAF P15056 1/20 0.35
MITF O75030 1/20 0.35
STAT3 P40763 1/20 0.35
STAT1 P42224 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TLR9 Q9NR96 1/20 0.35
NOTUM Q6P988 1/20 0.34
ATP4A P20648 1/20 0.34
ATP4B P51164 1/20 0.34

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
SCHEMBL3179659 0.84 ENPP3 (0.59) ENPP3ENPP1RAB9AALDH1A1KMT2A
SCHEMBL19625366 0.82 LTA4H (0.47) ENPP3ENPP1RAB9AALDH1A1KMT2A
SCHEMBL20286120 0.81 ENPP3 (0.45) ENPP3ENPP1RAB9AKMT2A
SCHEMBL3993786 0.77 KMO (0.38) RAB9AALDH1A1KMT2ANPC1LMNA
SCHEMBL19625391 0.76 TP53 (0.46) ENPP3ENPP1RAB9AALDH1A1KMT2A
SCHEMBL6986241 0.76 ENPP3 (0.69) ENPP3ENPP1RAB9AKMT2ANPC1
SCHEMBL20286125 0.72 NPC1 (0.40) RAB9AKMT2ANPC1L3MBTL1SMN1; SMN2
SCHEMBL3637967 0.72 RAB9A (0.44) ENPP3ENPP1RAB9AALDH1A1ALOX5
SCHEMBL3991408 0.71 ENPP3 (0.41) ENPP3ENPP1RAB9AALDH1A1ALOX5
SCHEMBL27009164 0.71 ENPP3 (0.56) ENPP3ENPP1RAB9ANPC1KDM4E

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200048268-A1 BENZODIAZEPINE DERIVATIVES, COMPOSITIONS, AND METHODS FOR TREATING COGNITIVE IMPAIRMENT NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-02-13 US disclosed
US-20180170941-A1 BENZODIAZEPINE DERIVATIVES, COMPOSITIONS, AND METHODS FOR TREATING COGNITIVE IMPAIRMENT HAGER BIOSCIENCES 2018-06-21 US disclosed
US-20180170941-A1 BENZODIAZEPINE DERIVATIVES, COMPOSITIONS, AND METHODS FOR TREATING COGNITIVE IMPAIRMENT HAGER BIOSCIENCES 2018-06-21 US disclosed
US-7863310-B2 Kinase inhibitors ELI LILLY AND COMPANY (US) 2011-01-04 US disclosed
US-20090318443-A1 KINASE INHIBITORS BONJOUKLIAN ROSANNE 2009-12-24 US disclosed
US-7582652-B2 Suppression cytokines, tumor necrosis factor; melanoma ELI LILLY AND COMPANY (US) 2009-09-01 US disclosed
EP-1713805-B1 KINASE INHIBITORS LILLY CO ELI (US) 2009-06-10 EP disclosed
US-20090036445-A1 KINASE INHIBITORS ELI LILLY AND COMPANY 2009-02-05 US disclosed
US-20080227839-A1 Kinase Inhibitors ELI LILLY AND COMPANY 2008-09-18 US disclosed
EP-1720862-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
EP-1713805-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2006-10-25 EP disclosed
WO-2005080380-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2005-09-01 WO disclosed
WO-2005075478-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2005-08-18 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 (5 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-20090036445-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 ENPP3 1774/4885ENPP1 1402/4885RAB9A 2018/4885
US-20090318443-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 ENPP3 1774/4885ENPP1 1402/4885RAB9A 2018/4885
US-20180170941-A1 BENZODIAZEPINE DERIVATIVES, COMPOSITIONS, AND METHODS FOR TREATING COGNITIVE IMPAIRMENT GRM5, GABRA5, GABRE ENPP3 4659/4885ENPP1 4616/4885RAB9A 397/4885
US-20080227839-A1 Kinase Inhibitors ABL1, MAP3K20, MAP3K19 ENPP3 2032/4885ENPP1 1751/4885RAB9A 1892/4885
US-20200048268-A1 BENZODIAZEPINE DERIVATIVES, COMPOSITIONS, AND METHODS FOR TREATING COGNITIVE IMPAIRMENT GABRA5, GRM5, GABRA1 ENPP3 4668/4885ENPP1 4583/4885RAB9A 646/4885

“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.