SCHEMBL12344200

SCHEMBL12344200

CCc1ccncc1C(=O)N(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT3 Q9NTG7 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ KDM5A P29375 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CYP2E1 P05181 1/20 0.38
▸ CYP2C8 P10632 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2A6 P11509 1/20 0.38
▸ CYP2B6 P20813 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ MAP4K1 Q92918 5/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ PKN1 Q16512 1/20 0.38
▸ PKN2 Q16513 1/20 0.38
▸ KDM6B O15054 2/20 0.37
▸ KDM4C Q9H3R0 2/20 0.37
▸ GPBAR1 Q8TDU6 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 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
SCHEMBL14618137 0.86 KDM4C (0.44) TDP1KDM5AMAPTMAP4K1ABL1
SCHEMBL23797839 0.83 SIRT3 (0.37) SIRT3TDP1KDM5AMAPTCYP2E1
SCHEMBL3818724 0.79 TDP1 (0.44) SIRT3TDP1MAPTCYP2E1CYP2C8
SCHEMBL30465694 0.79 KDM4C (0.51) SIRT3TDP1MAPTCYP2E1CYP2C8
SCHEMBL123203 0.79 KDM4C (0.51) SIRT3TDP1MAPTCYP2E1CYP2C8
SCHEMBL14907222 0.78 SIRT3 (0.61) SIRT3TDP1KDM5APKN1PKN2
SCHEMBL12261135 0.78 KDM5A (0.44) SIRT3TDP1KDM5AMAPTPKN1
SCHEMBL9002466 0.78 SIRT3 (0.61) SIRT3TDP1MAPTCYP2E1CYP2C8
SCHEMBL18757900 0.78 TDP1 (0.43) SIRT3TDP1KDM5AMAPTPKN1
SCHEMBL12341051 0.77 MAPT (0.43) SIRT3TDP1KDM5AMAPTPKN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020160198-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2020-08-06 — — WO disclosed
WO-2017064675-A1 HINDERED DISULFIDE DRUG CONJUGATES GENENTECH, INC. (US) 2017-04-20 — — WO disclosed
US-8268871-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2012-09-18 — — US disclosed
US-20100331283-A1 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2010-12-30 — — 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-20100331283-A1 Mitotic kinesin inhibitors and methods of use thereof KIF5B, KIF2C, KIFC1 SIRT3 1066/4885TDP1 179/4885KDM5A 608/4885

“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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