SCHEMBL3118673

SCHEMBL3118673

COc1ccc(CNc2nc(CCl)nc3ccccc23)cc1F

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.60
APP P05067 10/20 0.58
BCHE P06276 5/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
LMNA P02545 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
CYP2C19 P33261 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL3121533 0.89 ACHE (0.51) ACHEAPPBCHEMEN1KMT2A
SCHEMBL3109794 0.89 ACHE (0.63) ACHEAPPBCHEMEN1KMT2A
SCHEMBL92716 0.82 APP (0.70) ACHEAPPLMNACYP1A2CYP3A4
Hydrochloric Acid SCHEMBL3115103 0.81 ABCG2 (0.67) MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL1685030 0.81 APP (0.68) ACHEAPPKMT2ALMNACYP1A2
SCHEMBL3118614 0.79 ACHE (0.53) ACHEAPPBCHEMEN1KMT2A
SCHEMBL3112915 0.79 ACHE (0.50) ACHEAPPBCHEMEN1KMT2A
SCHEMBL4863132 0.79 ACHE (0.73) ACHEAPPBCHEMEN1KMT2A
SCHEMBL3125440 0.78 CYP1A2 (0.56) APPMEN1KMT2ALMNACYP1A2
SCHEMBL3118938 0.78 ACHE (0.63) ACHEAPPBCHEMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ACHE 3180/4885APP 2989/4885BCHE 2344/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX ACHE 3329/4885APP 3261/4885BCHE 2257/4885

“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.