SCHEMBL640458

SCHEMBL640458

CC(C)(C)OC(=O)N1CCC(Nc2ccncc2)C1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
NPC1 O15118 1/20 0.60
MAPT P10636 1/20 0.60
MAPK1 P28482 1/20 0.60
HTT P42858 1/20 0.60
RAB9A P51151 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
USP30 Q70CQ3 5/20 0.59
GPR119 Q8TDV5 6/20 0.52
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
BTK Q06187 1/20 0.48
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48
PTPN6 P29350 1/20 0.48
FPR3 P25089 1/20 0.48
FPR2 P25090 1/20 0.48
KMT2A Q03164 1/20 0.47
PIK3CD O00329 1/20 0.47

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
SCHEMBL640457 1.00 ALDH1A1 (0.61) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL3963092 0.92 ALDH1A1 (0.71) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL13696775 0.87 ALDH1A1 (0.64) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL17047823 0.87 ALDH1A1 (0.64) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL14873930 0.87 ALDH1A1 (0.64) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL3514725 0.86 ALDH1A1 (0.68) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL20194477 0.86 ALDH1A1 (0.66) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL18415607 0.86 ALDH1A1 (0.66) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL595014 0.86 ALDH1A1 (0.68) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL595013 0.86 ALDH1A1 (0.68) ALDH1A1NPC1MAPTMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS Asteroid Therapeutics 2023-10-26 US disclosed
US-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS Asteroid Therapeutics 2023-10-26 US disclosed
US-8791148-B2 Substituted benzimidazolone derivatives, medicaments comprising them and their use AbbVie Deutschland GmbH & Co. KG (DE) 2014-07-29 US disclosed
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2012-07-05 US disclosed
US-8119676-B2 Substituted benzimidazolone derivatives, medicaments comprising them and their use Abbott GmbH & Co. HG (DE) 2012-02-21 US disclosed
US-20100152168-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBOTT GMBH & CO. KG (DE) 2010-06-17 US disclosed
EP-2061769-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE Abbott GmbH & Co. KG (DE) 2009-05-27 EP disclosed
WO-2008025736-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBOTT GMBH & CO. KG (DE) 2008-03-06 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 (3 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-20100152168-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A ALDH1A1 586/4885NPC1 1450/4885MAPT 4368/4885
US-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS SREBF1, SREBF2, NR1H3 ALDH1A1 3647/4885NPC1 79/4885MAPT 4392/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A ALDH1A1 586/4885NPC1 1450/4885MAPT 4368/4885

“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.