SCHEMBL6493592

SCHEMBL6493592

COc1ccc(-c2cc3cc(F)c(F)cc3[nH]2)cc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.51
EHMT2 Q96KQ7 1/20 0.40
ALDH1A1 P00352 6/20 0.39
CYP3A4 P08684 2/20 0.39
MAPT P10636 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
KDM4E B2RXH2 3/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
THRB P10828 1/20 0.38
LCK P06239 1/20 0.38
BTK Q06187 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 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 SCHEMBL6496441 0.99 CYP1A1 (0.50) CYP1A1EHMT2ALDH1A1CYP3A4MAPT
SCHEMBL6494925 0.83 CYP1A1 (0.43) CYP1A1EHMT2ALDH1A1CYP3A4MAPT
SCHEMBL7089024 0.83 CYP1A1 (0.43) CYP1A1EHMT2ALDH1A1CYP3A4MAPT
SCHEMBL7111221 0.83 CYP1A1 (0.39) CYP1A1ALDH1A1MAPTNPC1RAB9A
SCHEMBL6493580 0.81 JAK2 (0.45)
SCHEMBL6503284 0.80 RAB9A (0.61) CYP1A1ALDH1A1MAPTNPC1RAB9A
Hydrochloric Acid SCHEMBL6502726 0.79 RAB9A (0.60) CYP1A1ALDH1A1MAPTNPC1RAB9A
SCHEMBL6286924 0.79 CYP1A1 (0.44) CYP1A1ALDH1A1CYP3A4MAPTNPC1
SCHEMBL6492938 0.77 NAAA (0.38) CYP1A1ALDH1A1MAPTNPC1RAB9A
SCHEMBL6503424 0.76 ALOX15 (0.44) MAPTKMT2A

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 14 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-1294687-A2 1,2,4-TRISUBSTITUTED BENZENES AS INHIBITORS OF 15-LIPOXYGENASE WARNER-LAMBERT COMPANY (US) 2003-03-26 EP 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
WO-2001096298-A2 1,2,4-TRISUBSTITUTED BENZENES AS INHIBITORS OF 15-LIPOXYGENASE WARNER-LAMBERT COMPANY (US) 2001-12-20 WO claimed
US-6906094-B2 1,2,4-tribsubstituted benzenes as inhibitors of 15-lipoxygenase WARNER-LAMBERT COMPANY (US) 2005-06-14 US disclosed
US-6858739-B2 Indole and benzimidazole 15-lipoxygenase inhibitors WARNER-LAMBERT COMPANY (US) 2005-02-22 US disclosed
US-20040053983-A1 1, 2, 4-tribsubstituted benzenes as inhibitors of 15-lipoxygenase BARVIAN NICOLE CHANTEL (US) 2004-03-18 US disclosed
US-20040038943-A1 Indole and benzimidazole 15-lipoxygenase inhibitors CONNOR DAVID THOMAS (US) 2004-02-26 US disclosed
EP-1294687-A2 1,2,4-TRISUBSTITUTED BENZENES AS INHIBITORS OF 15-LIPOXYGENASE WARNER-LAMBERT COMPANY (US) 2003-03-26 EP disclosed
EP-1294686-A2 INDOLE DERIVATIVES AND THEIR USE AS 15-LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2003-03-26 EP disclosed
WO-2001096298-A2 1,2,4-TRISUBSTITUTED BENZENES AS INHIBITORS OF 15-LIPOXYGENASE WARNER-LAMBERT COMPANY (US) 2001-12-20 WO 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 (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-20040038943-A1 Indole and benzimidazole 15-lipoxygenase inhibitors ALOX15, ALOX5, ALOX12 CYP1A1 77/4885EHMT2 1202/4885ALDH1A1 470/4885
US-20040053983-A1 1, 2, 4-tribsubstituted benzenes as inhibitors of 15-lipoxygenase ALOX15, ALOX5, ALOX15B CYP1A1 84/4885EHMT2 4171/4885ALDH1A1 894/4885

“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.