SCHEMBL6094124

SCHEMBL6094124

CC(=O)c1ccc(N2CCNCC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.65
USP2 O75604 1/20 0.65
TSHR P16473 1/20 0.65
HSD17B10 Q99714 1/20 0.65
ADRB1 P08588 4/20 0.58
MAPT P10636 3/20 0.57
KMT2A Q03164 3/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
HTR3E A5X5Y0 3/20 0.53
HTR3B O95264 3/20 0.53
HTR3A P46098 3/20 0.53
HTR3D Q70Z44 3/20 0.53
HTR3C Q8WXA8 3/20 0.53
SIGMAR1 Q99720 3/20 0.53
MEN1 O00255 2/20 0.53
OPRD1 P41143 1/20 0.53
MAOB P27338 1/20 0.52
ATM Q13315 1/20 0.51
ACVR1 Q04771 1/20 0.51

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
SCHEMBL232986 1.00 ALDH1A1 (0.65) ALDH1A1USP2TSHRHSD17B10ADRB1
SCHEMBL5234585 0.93 ALDH1A1 (0.58) ALDH1A1USP2TSHRHSD17B10ADRB1
SCHEMBL20916938 0.89 ALDH1A1 (0.53) ALDH1A1USP2TSHRHSD17B10ADRB1
SCHEMBL17669252 0.86 MAPT (0.71) ALDH1A1MAPTKMT2ANPC1RAB9A
SCHEMBL15801114 0.86 MAPT (0.71) ALDH1A1MAPTKMT2ANPC1RAB9A
SCHEMBL2427902 0.85 ALDH1A1 (0.86) ALDH1A1USP2TSHRHSD17B10ADRB1
SCHEMBL4977907 0.84 HTR3E (0.59) ALDH1A1USP2TSHRHSD17B10ADRB1
SCHEMBL598515 0.83 ALDH1A1 (0.72) ALDH1A1USP2TSHRHSD17B10ADRB1
SCHEMBL15156349 0.82 MAPT (0.62) ALDH1A1TSHRHSD17B10MAPTKMT2A
SCHEMBL909633 0.82 MAPT (0.62) ALDH1A1TSHRHSD17B10MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030150-B2 Benzimidazole compounds and antiviral uses thereof TRIMERIS, INC. 2006-04-18 US claimed
US-20030119754-A1 Benzimidazole compounds and antiviral uses thereof TRIMERIS, INC. 2003-06-26 US claimed
WO-2002092575-A1 BENZIMIDAZOLE COMPOUNDS AND ANTIVIRAL USES THEREOF TRIMERIS, INC. (US) 2002-11-21 WO claimed
US-20060142365-A1 Benzimidazole compounds and antiviral uses thereof TRIMERIS, INC. 2006-06-29 US disclosed
US-7030150-B2 Benzimidazole compounds and antiviral uses thereof TRIMERIS, INC. 2006-04-18 US disclosed
US-20030119754-A1 Benzimidazole compounds and antiviral uses thereof TRIMERIS, INC. 2003-06-26 US disclosed
WO-2002092575-A1 BENZIMIDAZOLE COMPOUNDS AND ANTIVIRAL USES THEREOF TRIMERIS, INC. (US) 2002-11-21 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-20060142365-A1 Benzimidazole compounds and antiviral uses thereof MAVS, ZC3HAV1, TIMM13 ALDH1A1 1618/4885USP2 3890/4885TSHR 4745/4885
US-20030119754-A1 Benzimidazole compounds and antiviral uses thereof MAVS, ZC3HAV1, TIMM13 ALDH1A1 1618/4885USP2 3890/4885TSHR 4745/4885

“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.