SCHEMBL1692153

SCHEMBL1692153

Cc1ccc2nc(-c3ccc(Cl)cc3)c(C(C)O)n2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.55
MAPT P10636 4/20 0.55
GAA P10253 3/20 0.55
NR1H4 Q96RI1 1/20 0.51
ALDH1A1 P00352 1/20 0.47
ALB P02768 2/20 0.43
OPRK1 P41145 2/20 0.43
KCNH2 Q12809 2/20 0.43
GABRB1 P18505 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
CHRM1 P11229 1/20 0.43
GABRA1 P14867 1/20 0.43
HPGD P15428 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA3 P34903 1/20 0.43
ADRA1A P35348 1/20 0.43
HTR2B P41595 1/20 0.43

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
SCHEMBL7998726 0.80 TP53 (0.56) TP53MAPTGAANR1H4ALDH1A1
SCHEMBL3363076 0.79 MAPT (0.48) TP53MAPTGAANR1H4ALDH1A1
SCHEMBL1691376 0.77 ALDH1A1 (0.58) TP53MAPTGAANR1H4ALDH1A1
SCHEMBL2535811 0.76 MAPT (0.55) TP53MAPTGAANR1H4ALDH1A1
SCHEMBL5253722 0.76 KDM4E (0.52) TP53MAPTGAANR1H4ALDH1A1
SCHEMBL6216568 0.76 KDM4E (0.52) TP53MAPTGAANR1H4ALDH1A1
SCHEMBL4723542 0.75 TP53 (0.51) TP53MAPTGAANR1H4ALDH1A1
SCHEMBL1431015 0.74 ALDH1A1 (0.59) TP53MAPTGAANR1H4ALDH1A1
SCHEMBL6216380 0.74 KDM4E (0.50) TP53MAPTGAANR1H4ALDH1A1
SCHEMBL6011806 0.73 KDM4E (0.52) TP53MAPTGAANR1H4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160113893-A1 NEW THERAPEUTIC USES OF ENZYME INHIBITORS UPSHER-SMITH LABORATORIES, INC. 2016-04-28 US claimed
US-20150239905-A1 IMIDAZOPYRIDINE COMPOUNDS BIOVITRUM AB (PUBL) (SE) 2015-08-27 US claimed
EP-2376490-B1 IMIDAZOPYRIDINE COMPOUNDS PROXIMAGEN LTD (GB) 2013-01-23 EP claimed
US-20120010188-A1 Imidazopyridine Compounds PROMIMAGEN LTD. (GB) 2012-01-12 US claimed
EP-2376490-A1 IMIDAZOPYRIDINE COMPOUNDS Proximagen Limited (GB) 2011-10-19 EP claimed
WO-2010064020-A1 IMIDAZOPYRIDINE COMPOUNDS PROXIMAGEN LTD. (GB) 2010-06-10 WO claimed
EP-3777846-A1 VAP-1 INHIBITORS FOR TREATING PAIN BenevolentAI Cambridge Limited (GB) 2021-02-17 EP disclosed
US-20200397764-A1 VAP-1 INHIBITORS FOR TREATING PAIN PROXIMAGEN, LLC 2020-12-24 US disclosed
WO-2017098236-A1 VAP-1 INHIBITORS FOR TREATING PAIN PROXIMAGEN LIMITED (GB) 2017-06-15 WO disclosed
US-20160113893-A1 NEW THERAPEUTIC USES OF ENZYME INHIBITORS UPSHER-SMITH LABORATORIES, INC. 2016-04-28 US disclosed
US-20160113893-A1 NEW THERAPEUTIC USES OF ENZYME INHIBITORS UPSHER-SMITH LABORATORIES, INC. 2016-04-28 US disclosed
US-20160101072-A1 Therapeutic uses of enzyme inhibitors PROXIMAGEN LIMITED (GB) 2016-04-14 US disclosed
US-20160101072-A1 Therapeutic uses of enzyme inhibitors PROXIMAGEN LIMITED (GB) 2016-04-14 US disclosed
EP-2376490-B1 IMIDAZOPYRIDINE COMPOUNDS PROXIMAGEN LTD (GB) 2013-01-23 EP disclosed
US-20120010188-A1 Imidazopyridine Compounds PROMIMAGEN LTD. (GB) 2012-01-12 US disclosed
US-20120010188-A1 Imidazopyridine Compounds PROMIMAGEN LTD. (GB) 2012-01-12 US disclosed
US-20120010188-A1 Imidazopyridine Compounds PROMIMAGEN LTD. (GB) 2012-01-12 US disclosed
EP-2376490-A1 IMIDAZOPYRIDINE COMPOUNDS Proximagen Limited (GB) 2011-10-19 EP disclosed
WO-2010064020-A1 IMIDAZOPYRIDINE COMPOUNDS PROXIMAGEN LTD. (GB) 2010-06-10 WO disclosed
WO-2010064020-A1 IMIDAZOPYRIDINE COMPOUNDS PROXIMAGEN LTD. (GB) 2010-06-10 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-20200397764-A1 VAP-1 INHIBITORS FOR TREATING PAIN VAPB, VAPA, OPRL1 TP53 4854/4885MAPT 1581/4885GAA 1228/4885
US-20120010188-A1 Imidazopyridine Compounds SSB, MIF, IDO1 TP53 2306/4885MAPT 3076/4885GAA 114/4885
US-20160113893-A1 NEW THERAPEUTIC USES OF ENZYME INHIBITORS VAPB, VAPA, AOX1 TP53 4862/4885MAPT 3148/4885GAA 10/4885
US-20150239905-A1 IMIDAZOPYRIDINE COMPOUNDS SSB, MIF, IDO1 TP53 2306/4885MAPT 3076/4885GAA 114/4885
US-20160101072-A1 Therapeutic uses of enzyme inhibitors VAPB, VAPA, AOX1 TP53 4859/4885MAPT 2191/4885GAA 6/4885

“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.