SCHEMBL12704575

SCHEMBL12704575

Cc1cccc(NN2C(=O)C(Cl)=C(Cl)C2=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.43
▸ KAT2B Q92831 1/20 0.43
▸ BRD9 Q9H8M2 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ MAPT P10636 3/20 0.43
▸ CYP1A2 P05177 3/20 0.43
▸ HTT P42858 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ NFKB1 P19838 1/20 0.42
▸ GAA P10253 2/20 0.42
▸ HAVCR2 Q8TDQ0 1/20 0.42
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ RAB9A P51151 1/20 0.39

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
SCHEMBL12704573 0.86 XPO1 (0.49) HSD17B10MAPTCYP1A2HTTCYP3A4
SCHEMBL11945529 0.77 CYP1A2 (0.67) MAPTCYP1A2HTTNPSR1GAA
SCHEMBL8134433 0.76 XPO1 (0.50) MAPTCYP1A2HTTCYP3A4CYP2C19
SCHEMBL7870381 0.68 CYP1A2 (0.50) HSD17B10MAPTCYP1A2HTTCYP3A4
SCHEMBL9351267 0.68 CYP1A2 (0.68) MAPTCYP1A2HTTNPSR1GAA
SCHEMBL8131606 0.67 XPO1 (0.55) MAPTCYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL20880336 0.67 XPO1 (0.51) MAPTCYP1A2NPSR1ALDH1A1
SCHEMBL7045420 0.66 — —
SCHEMBL30694098 0.66 — —
SCHEMBL8141682 0.66 CYP1A2 (0.67) MAPTCYP1A2HTTNPSR1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415357-B2 Compounds with anti-cancer activity CANBAS CO., LTD. (JP) 2013-04-09 — — US disclosed
US-20110092514-A1 COMPOUNDS WITH ANTI-CANCER ACTIVITY CANBAS CO., LTD. (JP) 2011-04-21 — — 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-20110092514-A1 COMPOUNDS WITH ANTI-CANCER ACTIVITY CDKN1A, CDC25C, DDB1 BRD4 882/4885KAT2B 2909/4885BRD9 992/4885

“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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