SCHEMBL5861815

SCHEMBL5861815

CCCCC(c1nc2ccccc2[nH]1)n1nnc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
BCHE P06276 1/20 0.45
TRPC3 Q13507 1/20 0.45
TRPC4 Q9UBN4 1/20 0.45
TRPC5 Q9UL62 1/20 0.45
SLC9A1 P19634 4/20 0.45
EGLN3 Q9H6Z9 1/20 0.42
IDO1 P14902 1/20 0.42
POLB P06746 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
CYP4Z1 Q86W10 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL5858860 0.89 TAAR1 (0.47) ALDH1A1EGLN3IDO1POLBTAAR1
Pyrrolidine SCHEMBL5862139 0.85 ALDH1A1 (0.39) ALDH1A1BCHETRPC3TRPC4TRPC5
SCHEMBL5858759 0.84 FPR1 (0.49) ALDH1A1
SCHEMBL5858816 0.84 ACHE (0.43) ALDH1A1BCHEEGLN3IDO1POLB
Hydrochloric Acid SCHEMBL5859902 0.83 ACHE (0.42) ALDH1A1BCHEEGLN3IDO1POLB
SCHEMBL5858811 0.82 EGLN3 (0.40) ALDH1A1EGLN3IDO1POLBTAAR1
SCHEMBL5858785 0.82 ALOX12 (0.46) ALDH1A1EGLN3IDO1POLBTAAR1
SCHEMBL5858821 0.80 TAAR1 (0.41) ALDH1A1EGLN3IDO1POLBTAAR1
SCHEMBL5861859 0.78 IDO1 (0.43) ALDH1A1EGLN3IDO1POLBTAAR1
SCHEMBL27682492 0.77 ALDH1A1 (0.61) ALDH1A1BCHETRPC3TRPC4TRPC5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030140-B2 Substituted benzimidazole antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2006-04-18 US disclosed
US-6908936-B2 Substituted benzimidazole antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-21 US disclosed
US-20050038085-A1 Substituted benzimidazole antiviral agents YU KUO-LONG (US) 2005-02-17 US disclosed
US-20030139450-A1 Substituted benzimidazole antiviral agents YU KUO-LONG (US) 2003-07-24 US disclosed
EP-1098644-A1 SUBSTITUTED BENZIMIDAZOLE ANTIVIRAL AGENTS Bristol-Myers Squibb Company (US) 2001-05-16 EP disclosed
WO-2000004900-A1 SUBSTITUTED BENZIMIDAZOLE ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-02-03 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-20050038085-A1 Substituted benzimidazole antiviral agents MAVS, ZC3HAV1, ZC3HAV1L ALDH1A1 1674/4885BCHE 2155/4885TRPC3 3870/4885
US-20030139450-A1 Substituted benzimidazole antiviral agents MAVS, ZC3HAV1, ZC3HAV1L ALDH1A1 1674/4885BCHE 2155/4885TRPC3 3870/4885

“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.