SCHEMBL6503284

SCHEMBL6503284

COc1ccc(-c2cc3ccccc3[nH]2)cc1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.61
NPC1 O15118 5/20 0.61
KDM4E B2RXH2 4/20 0.61
MAPT P10636 4/20 0.61
CASP3 P42574 2/20 0.61
SENP8 Q96LD8 2/20 0.61
SENP7 Q9BQF6 2/20 0.61
SENP6 Q9GZR1 2/20 0.61
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
ALDH1A1 P00352 2/20 0.57
HPGD P15428 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48

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 SCHEMBL6502726 0.99 RAB9A (0.60) RAB9ANPC1KDM4EMAPTCASP3
SCHEMBL30770801 0.86 RAB9A (0.67) RAB9ANPC1KDM4EMAPTCASP3
SCHEMBL10796083 0.86 RAB9A (0.67) RAB9ANPC1KDM4EMAPTCASP3
SCHEMBL11659391 0.84 KDM4E (0.63) RAB9ANPC1KDM4EMAPTCASP3
SCHEMBL11117167 0.82 RAB9A (0.61) RAB9ANPC1KDM4EMAPTCASP3
SCHEMBL11652913 0.82 KDM4E (0.61) RAB9ANPC1KDM4EMAPTCASP3
SCHEMBL6503170 0.82 RAB9A (0.57) RAB9ANPC1KDM4EMAPTCASP3
SCHEMBL6286924 0.81 CYP1A1 (0.44) RAB9ANPC1KDM4EMAPTCASP3
SCHEMBL6282533 0.81 KDM4E (0.47) RAB9ANPC1KDM4EMAPTCASP3
SCHEMBL6286157 0.81 KDM4E (0.44) RAB9ANPC1KDM4EMAPTCASP3

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 12 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-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 RAB9A 4162/4885NPC1 868/4885KDM4E 881/4885
US-20040053983-A1 1, 2, 4-tribsubstituted benzenes as inhibitors of 15-lipoxygenase ALOX15, ALOX5, ALOX15B RAB9A 3743/4885NPC1 3031/4885KDM4E 2116/4885

“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.