SCHEMBL6024313

SCHEMBL6024313

CCCCNc1cc(C(=O)NC)ccc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.62
NPC1 O15118 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 6/20 0.52
GAA P10253 1/20 0.52
POLB P06746 2/20 0.49
LMNA P02545 2/20 0.49
PKM P14618 2/20 0.49
ALDH1A1 P00352 3/20 0.48
KAT2B Q92831 1/20 0.48
CRHBP P24387 1/20 0.47
RAB9A P51151 1/20 0.47
CRHR2 Q13324 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPK1 P28482 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46

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
SCHEMBL763439 0.85 HCAR3 (0.62) HCAR3NPC1SMN1; SMN2MAPTGAA
SCHEMBL9195511 0.81 HCAR3 (0.62) HCAR3NPC1MAPTGAAPKM
SCHEMBL2250519 0.81 HCAR3 (0.56) HCAR3NPC1SMN1; SMN2MAPTGAA
SCHEMBL4980984 0.80 HCAR3 (0.58) HCAR3SMN1; SMN2MAPTGAAPOLB
SCHEMBL25998804 0.78 ALDH1A1 (0.67) HCAR3NPC1SMN1; SMN2MAPTPOLB
SCHEMBL1283854 0.77 MAPT (0.54) HCAR3SMN1; SMN2MAPTGAAPOLB
SCHEMBL11048929 0.77 MAPT (0.65) HCAR3SMN1; SMN2MAPTGAAPOLB
SCHEMBL7960520 0.77 SMN1; SMN2 (0.61) HCAR3NPC1SMN1; SMN2MAPTLMNA
SCHEMBL6024481 0.76 MAPT (0.51) HCAR3SMN1; SMN2MAPTGAAPOLB
SCHEMBL11267808 0.76 HCAR3 (0.81) HCAR3NPC1SMN1; SMN2MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7138420-B2 Substituted benzimidazole compounds BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-11-21 US disclosed
US-20050203158-A1 Substituted benzimidazole compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-15 US disclosed
EP-1529046-A1 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-05-11 EP disclosed
WO-2004014905-A1 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-02-19 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 (1 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-20050203158-A1 Substituted benzimidazole compounds ITK, BLK, SBK1 HCAR3 1724/4885NPC1 3850/4885SMN1; SMN2 4120/4885

“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.