SCHEMBL3975552

SCHEMBL3975552

CC(C)(C)C(=O)Nc1ccc(NCC2CCCCC2)c(N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.47
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
AAK1 Q2M2I8 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ALDH3A1 P30838 1/20 0.43
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
EPHX1 P07099 3/20 0.41
LDLR P01130 1/20 0.41
CD38 P28907 1/20 0.40
LCK P06239 1/20 0.40
CTSL P07711 1/20 0.40
PTPRC P08575 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
CTSS P25774 1/20 0.40

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
SCHEMBL3970983 0.86 PTGER4 (0.50) PTGER4AAK1RXFP1ALDH1A1ALDH3A1
SCHEMBL3930758 0.85 PTGER4 (0.51) PTGER4RAB9AAAK1RXFP1ALDH1A1
SCHEMBL13876936 0.84 PTGER4 (0.51) PTGER4AAK1RXFP1ALDH1A1ALDH3A1
SCHEMBL3971120 0.82 MAPT (0.48) NPC1HTTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL5881733 0.80 PTGER4 (0.56) PTGER4ALDH1A1L3MBTL1KDM4E
SCHEMBL5881896 0.78 PTGER4 (0.57) PTGER4SMN1; SMN2AAK1ALDH1A1MAPT
SCHEMBL14116541 0.76 PTGER4 (0.46) PTGER4AAK1RXFP1ALDH1A1ALDH3A1
SCHEMBL1496461 0.75 MEN1 (0.47) NPC1HTTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL1609124 0.75 PTGER4 (0.48) PTGER4ALDH1A1MAPT
SCHEMBL584389 0.75 PTGER4 (0.51) PTGER4NPC1ALDH1A1L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111865-A1 Benzimidazole Derivatives, Compositions Containing Them, Preparation Thereof and Uses Thereof ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20090111865-A1 Benzimidazole Derivatives, Compositions Containing Them, Preparation Thereof and Uses Thereof ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20090111865-A1 Benzimidazole Derivatives, Compositions Containing Them, Preparation Thereof and Uses Thereof ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-7501447-B2 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2009-03-10 US disclosed
US-7501447-B2 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2009-03-10 US disclosed
US-7501447-B2 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2009-03-10 US disclosed
US-20060205802-A1 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2006-09-14 US disclosed
EP-1636214-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF Astrazeneca AB (SE) 2006-03-22 EP disclosed
WO-2004108712-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2004-12-16 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-20090111865-A1 Benzimidazole Derivatives, Compositions Containing Them, Preparation Thereof and Uses Thereof H1-3, H1-4, CYP3A4 PTGER4 47/4885NPC1 3331/4885HTT 4097/4885
US-20060205802-A1 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof H1-3, CYP2C19, CYP3A4 PTGER4 52/4885NPC1 3280/4885HTT 4185/4885

“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.