SCHEMBL16158000

SCHEMBL16158000

CCc1ccc(Cl)c2c(NC(=O)C(F)(F)F)nn(C)c12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ CHUK O15111 1/20 0.39
▸ EPHX2 P34913 1/20 0.35
▸ NR1H4 Q96RI1 1/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ HSD17B13 Q7Z5P4 2/20 0.33
▸ LMNA P02545 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ TRPM8 Q7Z2W7 1/20 0.33
▸ HTT P42858 2/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32

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
SCHEMBL16006518 0.85 MAPT (0.44) KMT2AMAPTNPC1RAB9ACHUK
SCHEMBL17697579 0.84 CYP3A4 (0.41) KMT2AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL17697582 0.84 NR3C2 (0.34) KMT2AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL19788775 0.83 MAPT (0.43) KMT2AMAPTNPC1RAB9ACHUK
SCHEMBL17697553 0.82 CASP1 (0.40) KMT2AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL24997637 0.82 KMT2A (0.42) KMT2AMAPTNPC1RAB9ACHUK
SCHEMBL17621602 0.81 SMN1; SMN2 (0.37) KMT2AMAPTNPC1SMN1; SMN2MEN1
SCHEMBL17621512 0.81 CASP1 (0.34) KMT2AMAPTNPC1SMN1; SMN2MEN1
SCHEMBL17621574 0.80 ALDH1A1 (0.36) KMT2AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL17621604 0.79 KMT2A (0.43) KMT2AMAPTHSD17B13LMNAMEN1

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-20140303164-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2014-10-09 — — 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-20140303164-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD KMT2A 4702/4885MAPT 1618/4885NPC1 9/4885

“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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