SCHEMBL17190702

SCHEMBL17190702

[2H]C(=O)c1c(Cl)ccc(F)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TNF P01375 1/20 0.31
RIPK1 Q13546 1/20 0.31
HPGD P15428 2/20 0.31
MAPT P10636 1/20 0.31
SLC2A1 P11166 1/20 0.31
PBRM1 Q86U86 1/20 0.30
LMNA P02545 1/20 0.30
ALOX12 P18054 1/20 0.30
ATM Q13315 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL1359343 0.84 ALDH1A1 (0.50) ALDH1A1TDP1MEN1KMT2ATNF
SCHEMBL2845041 0.76 TNF (0.36) ALDH1A1TDP1MEN1KMT2ATNF
SCHEMBL16268047 0.76 ALDH1A1 (0.33) ALDH1A1TDP1MEN1KMT2ATNF
SCHEMBL488952 0.75 ALDH1A1 (0.42) ALDH1A1TDP1MEN1KMT2ATNF
SCHEMBL17190700 0.72 ALDH1A1 (0.42) ALDH1A1TDP1MEN1KMT2AHSD17B10
SCHEMBL31387760 0.71 ALDH1A1 (0.50) ALDH1A1TDP1MEN1KMT2AHPGD
SCHEMBL953875 0.71 ALDH1A1 (0.44) ALDH1A1TDP1MEN1KMT2AHPGD
SCHEMBL1359122 0.71 ALDH1A1 (0.50) ALDH1A1TDP1MEN1KMT2AHPGD
SCHEMBL7550008 0.71 CA12 (0.38) ALDH1A1TDP1MEN1KMT2AHPGD
SCHEMBL7550001 0.71 CA12 (0.38) ALDH1A1TDP1MEN1KMT2AHPGD

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-20150299170-A1 FLUORO-DERIVATIVES OF PYRAZOLE-SUBSTITUTED AMINO-HETEROARYL COMPOUNDS CONCERT PHARMACEUTICALS INC (US) 2015-10-22 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-20150299170-A1 FLUORO-DERIVATIVES OF PYRAZOLE-SUBSTITUTED AMINO-HETEROARYL COMPOUNDS ALK, ABL1, BRAF ALDH1A1 395/4885TDP1 1325/4885MEN1 2313/4885

“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.