SCHEMBL10202634

SCHEMBL10202634

CC(C)(C)COCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.55
▸ TACR1 P25103 2/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ MAOB P27338 7/20 0.46
▸ TAAR1 Q96RJ0 1/20 0.42
▸ PTPN2 P17706 1/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ PTPN6 P29350 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
SCHEMBL20408398 0.84 APP (0.49) KMT2AALDH1A1
SCHEMBL492736 0.83 IDO1 (0.68) IDO1TACR1KMT2AALDH1A1MAOB
SCHEMBL3434078 0.80 IDO1 (0.59) IDO1TACR1KMT2AALDH1A1MAOB
SCHEMBL10202633 0.80 IDO1 (0.48) IDO1KMT2AALDH1A1MAOB
SCHEMBL10202615 0.78 ALDH1A1 (0.44) ALDH1A1
SCHEMBL23613252 0.78 ESR1 (0.56) TACR1KMT2AALDH1A1
Hydroxyamine SCHEMBL8924228 0.78 IDO1 (0.67) IDO1KMT2AALDH1A1MAOBTAAR1
SCHEMBL24590308 0.78 AGXT (0.50) IDO1ALDH1A1MAOBTAAR1
SCHEMBL10264232 0.77 IDO1 (0.55) IDO1TACR1KMT2AALDH1A1MAOB
SCHEMBL10202640 0.76 IDO1 (0.48) IDO1KMT2AALDH1A1MAOBTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9371329-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2016-06-21 — — US disclosed
US-9079901-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-07-14 — — US disclosed
US-20150080370-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2015-03-19 — — US disclosed
US-8952034-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-02-10 — — US disclosed
US-20140303158-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2014-10-09 — — US disclosed
US-8754103-B2 — — 2014-06-17 — — US disclosed
US-8703759-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2014-04-22 — — US disclosed
US-20120010192-A1 Fused Heterocyclic Compounds as Ion Channel Modulators GILEAD SCIENCES, INC. 2012-01-12 — — US disclosed
US-20110021521-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2011-01-27 — — US 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 (4 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-20150080370-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, CACNA1E IDO1 4136/4885TACR1 349/4885KMT2A 3048/4885
US-20120010192-A1 Fused Heterocyclic Compounds as Ion Channel Modulators KCNJ2, KCNH2, CACNA1E IDO1 4136/4885TACR1 349/4885KMT2A 3048/4885
US-20140303158-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, KCNA3 IDO1 3743/4885TACR1 872/4885KMT2A 3427/4885
US-20110021521-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, KCNA3 IDO1 3743/4885TACR1 872/4885KMT2A 3427/4885

“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.

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