SCHEMBL6493590

SCHEMBL6493590

COc1ccc(-c2cc3cc(F)c(F)cc3[nH]2)cc1N(S)C(=O)Nc1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
KDM4E B2RXH2 5/20 0.41
POLB P06746 2/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.41
TP53 P04637 1/20 0.41
ALDH1A1 P00352 4/20 0.40
PKM P14618 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
AHR P35869 1/20 0.38
ABCB1 P08183 1/20 0.38

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
Hydrochloric Acid SCHEMBL6494612 0.99 LMNA (0.41) LMNAKDM4EPOLBRAB9ANPC1
SCHEMBL6502531 0.87 MEN1 (0.40) KDM4ERAB9ANPC1MAPTTSHR
SCHEMBL6493583 0.80 KDM4E (0.57) LMNAKDM4EPOLBRAB9ANPC1
SCHEMBL6496206 0.79 TLR8 (0.35) KDM4EMAPTGAAALDH1A1
Hydrochloric Acid SCHEMBL6494609 0.79 KDM4E (0.56) LMNAKDM4EPOLBRAB9ANPC1
SCHEMBL6505072 0.78 ROCK2 (0.40) POLBMAPTGAATP53ALDH1A1
SCHEMBL6503082 0.74 ROCK2 (0.42) MAPTTP53
SCHEMBL6504814 0.73 ACLY (0.38) LMNARAB9ANPC1MAPTGAA
SCHEMBL6809729 0.72 LMNA (0.67) LMNAKDM4EPOLBRAB9ANPC1
SCHEMBL6494231 0.72 ALOX15 (0.36) LMNAPOLBRAB9AMAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6858739-B2 Indole and benzimidazole 15-lipoxygenase inhibitors WARNER-LAMBERT COMPANY (US) 2005-02-22 US claimed
US-20040038943-A1 Indole and benzimidazole 15-lipoxygenase inhibitors CONNOR DAVID THOMAS (US) 2004-02-26 US claimed
EP-1294686-A2 INDOLE DERIVATIVES AND THEIR USE AS 15-LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2003-03-26 EP claimed
WO-2001096299-A2 INDOLE DERIVATIVES AND THEIR USE AS 15-LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-12-20 WO claimed
US-6858739-B2 Indole and benzimidazole 15-lipoxygenase inhibitors WARNER-LAMBERT COMPANY (US) 2005-02-22 US disclosed
US-20040038943-A1 Indole and benzimidazole 15-lipoxygenase inhibitors CONNOR DAVID THOMAS (US) 2004-02-26 US disclosed
EP-1294686-A2 INDOLE DERIVATIVES AND THEIR USE AS 15-LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2003-03-26 EP disclosed
WO-2001096299-A2 INDOLE DERIVATIVES AND THEIR USE AS 15-LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-12-20 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-20040038943-A1 Indole and benzimidazole 15-lipoxygenase inhibitors ALOX15, ALOX5, ALOX12 LMNA 1070/4885KDM4E 881/4885POLB 2449/4885

“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.