SCHEMBL3112334

SCHEMBL3112334

COc1cccc(CC(N)c2nc(Cl)nc3ccccc23)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.50
APP P05067 1/20 0.47
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ACP1 P24666 1/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ADORA2A P29274 1/20 0.42
LMNA P02545 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
USP2 O75604 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42

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
SCHEMBL3113186 0.87 EGFR (0.49) APPACP1KMT2AADORA2ALMNA
SCHEMBL3108465 0.80 ADORA2A (0.44) APPALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL3113231 0.77 APP (0.41) APPACP1HTTMEN1KMT2A
SCHEMBL6444198 0.74 TAAR1 (0.68) TAAR1CYP1A2CYP2D6CYP2C19SIGMAR1
SCHEMBL3108468 0.74 APP (0.74) APPALDH1A1SMN1; SMN2ACP1MEN1
SCHEMBL3119434 0.73 MEN1 (0.45) APPALDH1A1HTTMEN1KMT2A
SCHEMBL3110824 0.73 EGFR (0.44) APPALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL3112339 0.73 GBA1 (0.67) APPALDH1A1SMN1; SMN2KMT2ALMNA
Hydrochloric Acid SCHEMBL10671127 0.73 TAAR1 (0.66) TAAR1CYP1A2CYP2D6CYP2C19SIGMAR1
SCHEMBL1685039 0.73 EGFR (0.52) APPALDH1A1SMN1; SMN2HTTKMT2A

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-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF Myriad Pharmaceuticals, Incorporated (US) 2010-03-18 US claimed
US-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF MYREXIS, INC. (US) 2013-01-31 US disclosed
US-8309562-B2 Compounds and therapeutical use thereof MYREXIS, INC. (US) 2012-11-13 US disclosed
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF Myriad Pharmaceuticals, Incorporated (US) 2010-03-18 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 (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-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF BAD, CASP3, BAX TAAR1 4864/4885APP 2989/4885ALDH1A1 1143/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX TAAR1 4858/4885APP 3261/4885ALDH1A1 1131/4885

“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.