SCHEMBL19793301

SCHEMBL19793301

O=Cc1nnc(CCc2ccc(Cl)cc2)s1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ATM Q13315 1/20 0.39
FFAR1 O14842 1/20 0.39
SRC P12931 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
POLB P06746 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ENPP2 Q13822 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL17967210 0.75 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AATMFFAR1
SCHEMBL19793302 0.75 POLB (0.46) ALDH1A1MEN1KMT2AATMSRC
SCHEMBL17967124 0.75 ALDH1A1 (0.72) ALDH1A1MEN1KMT2AATMLMNA
SCHEMBL17967116 0.73 FFAR1 (0.52) FFAR1SRCHDAC1HDAC6ENPP2
SCHEMBL18003902 0.73 MGAM (0.55) ALDH1A1MEN1KMT2ALMNAHDAC1
SCHEMBL17967183 0.72 FFAR1 (0.48) ALDH1A1MEN1KMT2AFFAR1SRC
SCHEMBL17967254 0.72 TDP1 (0.45) ALDH1A1MEN1KMT2AATMFFAR1
SCHEMBL8772467 0.69 HSD17B10 (0.73) ALDH1A1LMNATAAR1
SCHEMBL17967149 0.69 FFAR1 (0.48) ALDH1A1MEN1KMT2AFFAR1SRC
SCHEMBL2135113 0.67 TAAR1 (0.68) LMNATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180022742-A1 AUTOTAXIN INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-01-25 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 (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-20180022742-A1 AUTOTAXIN INHIBITORS ENPP2, RNASE1, ATXN10 ALDH1A1 4116/4885MEN1 1121/4885KMT2A 353/4885

“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.