SCHEMBL18463765

SCHEMBL18463765

C=C(C)c1cnc2cc(Br)ccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PABPC1 P11940 1/20 0.39
▸ CSF1R P07333 1/20 0.37
▸ HTT P42858 3/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ PIK3R1 P27986 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ DYRK1A Q13627 2/20 0.34
▸ CASP3 P42574 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ BACE1 P56817 2/20 0.33

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
SCHEMBL2621767 0.93 CSF1R (0.42) PABPC1CSF1RHTTTSHRCYP1A2
SCHEMBL18463872 0.83 ALDH1A1 (0.37) PABPC1HTTTSHRCYP1A2CYP2C19
SCHEMBL18463860 0.80 KDM4E (0.43) CSF1RALDH1A1HPGDALOX15HSD17B10
SCHEMBL1293884 0.79 ALDH1A1 (0.46) PABPC1HTTTSHRCYP1A2CYP2C19
SCHEMBL13905401 0.78 ALDH1A1 (0.61) PABPC1HTTALDH1A1HPGDALOX15
SCHEMBL18463769 0.77 BACE1 (0.48) PABPC1HTTCYP1A2CYP2C19ALDH1A1
SCHEMBL13134246 0.77 ALDH1A1 (0.58) ALDH1A1HPGDALOX15HSD17B10NPC1
SCHEMBL15447229 0.77 HTT (0.46) HTTTSHRCYP1A2CYP2C19ALDH1A1
SCHEMBL12571875 0.76 TSHR (0.52) HTTTSHRCYP1A2ALDH1A1RAB9A
SCHEMBL27944508 0.76 ALDH1A1 (0.43) PABPC1HTTTSHRCYP1A2CYP2C19

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-20170029372-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2017-02-02 — — 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-20170029372-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE KLK3, SHBG, ACP3 PABPC1 734/4885CSF1R 1125/4885HTT 4638/4885

“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.

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