SCHEMBL1966541

SCHEMBL1966541

Clc1cc(Cn2cc(-n3cc(-c4nn[nH]n4)cn3)nn2)cc(Cl)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 9/20 0.41
PDE3A Q14432 9/20 0.41
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4C Q9H3R0 2/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
SLC22A12 Q96S37 1/20 0.34

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
SCHEMBL1970677 0.79 KDM4C (0.40) MEN1ALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL12563324 0.77 SCD (0.38) SMN1; SMN2
SCHEMBL1986109 0.77 SCD (0.48) MEN1KMT2ASMN1; SMN2
SCHEMBL1965690 0.76 EGLN1 (0.44)
SCHEMBL1986750 0.75 SCD (0.40) SMN1; SMN2
SCHEMBL1967187 0.74 CYP19A1 (0.38)
SCHEMBL1966799 0.74 ALDH1A1 (0.45) MEN1ALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL1967024 0.71 ALDH1A1 (0.45) MEN1ALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL12563328 0.70 SCD (0.47) MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL1967731 0.64 NOTUM (0.38) KMT2A

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-20110152295-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2011-06-23 US disclosed
EP-2334666-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Canada Inc. (CA) 2011-06-22 EP disclosed
WO-2010025553-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-03-11 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 (1 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-20110152295-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, SREBF1 PDE3B 4090/4885PDE3A 4085/4885MEN1 4525/4885

“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.