SCHEMBL5861837

SCHEMBL5861837

N=C(CCn1c(Cn2nnc3ccccc32)nc2ccccc21)NO

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.44
LMNA P02545 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
SLC9A1 P19634 2/20 0.44
GRM2 Q14416 2/20 0.44
KCNMA1 Q12791 1/20 0.43
EGLN3 Q9H6Z9 1/20 0.43
KDM4E B2RXH2 3/20 0.43
MAPT P10636 1/20 0.43
RPS6KA3 P51812 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 1/20 0.40
PTK2 Q05397 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
SCHEMBL5858769 0.86 KCNMA1 (0.48) HPGDLMNAKMT2AALDH1A1TP53
SCHEMBL5859932 0.79 SLC9A1 (0.51) HPGDLMNAKMT2AALDH1A1TP53
SCHEMBL5859945 0.78 SLC9A1 (0.48) HPGDLMNAKMT2AALDH1A1TP53
SCHEMBL5861811 0.77 SLC9A1 (0.65) HPGDKMT2ATSHRSLC9A1MAPT
SCHEMBL5858757 0.76 SLC9A1 (0.48) HPGDLMNAKMT2AALDH1A1TP53
SCHEMBL5858823 0.76 POLB (0.48) HPGDLMNAKMT2AALDH1A1TP53
SCHEMBL5859138 0.76 TSHR (0.65) HPGDLMNAKMT2AALDH1A1TP53
SCHEMBL5858830 0.75 GRM2 (0.69) LMNAKMT2AALDH1A1TP53TSHR
Hydrochloric Acid SCHEMBL5859906 0.75 POLB (0.47) HPGDLMNAKMT2AALDH1A1TP53
Iodide SCHEMBL5861908 0.75 TSHR (0.47) HPGDLMNAKMT2AALDH1A1TP53

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 HPGD 4338/4885LMNA 3317/4885KMT2A 1287/4885
US-20030139450-A1 Substituted benzimidazole antiviral agents MAVS, ZC3HAV1, ZC3HAV1L HPGD 4338/4885LMNA 3317/4885KMT2A 1287/4885

“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.