SCHEMBL1323935

SCHEMBL1323935

[c]1nc2c(-c3nc4ccccc4s3)cccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.50
RAB9A P51151 8/20 0.50
NPC1 O15118 7/20 0.50
ALDH1A1 P00352 6/20 0.50
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
MAPT P10636 5/20 0.50
GAA P10253 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
ILK Q13418 6/20 0.45
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 3/20 0.43
HCRTR1 O43613 1/20 0.42
GLA P06280 1/20 0.42
TP53 P04637 3/20 0.41
HSD17B10 Q99714 3/20 0.41
TSHR P16473 1/20 0.41
APP P05067 1/20 0.41

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
SCHEMBL3398344 0.76 KDM4E (0.51) KDM4ERAB9ANPC1ALDH1A1MEN1
SCHEMBL29808854 0.76 KDM4E (0.62) KDM4ERAB9ANPC1ALDH1A1MEN1
SCHEMBL2846634 0.76 KDM4E (0.62) KDM4ERAB9ANPC1ALDH1A1MEN1
SCHEMBL7081757 0.75 APP (0.41) APP
SCHEMBL4623912 0.75 METAP2 (0.35) KDM4ENPC1ALDH1A1MEN1KMT2A
SCHEMBL231307 0.75 KDM4E (0.75) KDM4ERAB9ANPC1ALDH1A1MEN1
SCHEMBL6185136 0.74 NPC1 (0.45) KDM4ERAB9ANPC1ALDH1A1MEN1
SCHEMBL6746143 0.74 NPC1 (0.55) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL12854008 0.73 KDM4E (0.72) KDM4ERAB9ANPC1ALDH1A1MEN1
SCHEMBL787341 0.72 KDM4E (0.50) KDM4ERAB9ANPC1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0235198-B1 COLORED UNSATURATED POLYESTER MATERIAL CONTAINING COPOLYMERIZED METHINE DYES, AND PRODUCTS THEREFROM EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1990-12-05 EP claimed
EP-0215054-B1 CONDENSATION POLYMERS AND PRODUCTS THEREFROM EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1990-01-03 EP claimed
EP-3083600-A1 IMIDAZOLIN-5-ONE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER Janssen Pharmaceutica NV (BE) 2016-10-26 EP disclosed
WO-2015095011-A1 IMIDAZOLIN-5-ONE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2015-06-25 WO disclosed
EP-1391454-B1 Substituted benzamide compounds with antihypertensive activity MITSUBISHI TANABE PHARMA CORP (JP) 2012-05-30 EP disclosed
US-8058292-B2 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. (US) 2011-11-15 US disclosed
US-20100256111-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN PURDUE PHARMA L.P. (US) 2010-10-07 US disclosed
US-7767699-B2 Therapeutic agents useful for treating pain PURDUE PHARMA, L.P. (US) 2010-08-03 US disclosed
EP-1641775-B1 2-PYRIDINE ALKYNE DERIVATIVES USEFUL FOR TREATING PAIN EURO CELTIQUE SA (LU) 2009-02-18 EP disclosed
US-20060235055-A1 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. 2006-10-19 US disclosed
EP-1641775-A1 2-PYRIDINE ALKYNE DERIVATIVES USEFUL FOR TREATING PAIN Euro-Celtique S.A. (LU) 2006-04-05 EP disclosed
WO-2005007641-A1 2-PYRIDINE ALKYNE DERIVATIVES USEFUL FOR TREATING PAIN EURO-CELTIQUE S.A. (LU) 2005-01-27 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 (2 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-20060235055-A1 Therapeutic agents useful for treating pain CHRNA10, ACHE, SNCA KDM4E 1195/4885RAB9A 380/4885NPC1 1355/4885
US-20100256111-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN CHRNA10, ACHE, SNCA KDM4E 1195/4885RAB9A 380/4885NPC1 1355/4885

“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.