SCHEMBL2069902

SCHEMBL2069902

Cc1cc(N)ccc1NC(=O)C(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.58
MAPT P10636 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
RAD52 P43351 1/20 0.51
SIGMAR1 Q99720 2/20 0.50
TP53 P04637 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CETP P11597 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ABCC9 O60706 2/20 0.42
ABCC8 Q09428 2/20 0.42
KCNJ11 Q14654 2/20 0.42
KCNJ8 Q15842 2/20 0.42

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
SCHEMBL17506449 0.85 CYP1A2 (0.56) CYP1A2MAPTCYP2C9CYP2C19RAD52
SCHEMBL6569780 0.83 PDK1 (0.64) CYP1A2MAPTCYP2C9CYP2C19ABCC9
SCHEMBL6569771 0.83 PDK1 (0.64) CYP1A2MAPTCYP2C9CYP2C19ABCC9
SCHEMBL6095592 0.82 MAPT (0.70) CYP1A2MAPTCYP2C9CYP2C19RAD52
SCHEMBL14402886 0.82 MAPT (0.65) CYP1A2MAPTCYP2C9CYP2C19RAD52
SCHEMBL4968264 0.81 HDAC1 (0.58) MAPTL3MBTL1CETPHDAC3HDAC1
SCHEMBL24510782 0.80 MAPT (0.68) CYP1A2MAPTCYP2C9CYP2C19RAD52
SCHEMBL1358811 0.80 MAPT (0.63) CYP1A2MAPTCYP2C9CYP2C19RAD52
SCHEMBL30168176 0.80 MAPT (0.63) CYP1A2MAPTCYP2C9CYP2C19RAD52
SCHEMBL10047063 0.79 MAPT (0.52) CYP1A2MAPTCYP2C9CYP2C19SIGMAR1

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
US-7906537-B2 Substituted p-diaminobenzene derivatives H. LUNDBECK A/S (DK) 2011-03-15 US disclosed
US-20060183791-A1 Substituted p-diaminobenzene derivatives H. LUNDBECK A/S (DK) 2006-08-17 US disclosed
EP-1613303-A1 SUBSTITUTED P-DIAMINOBENZENE DERIVATIVES H. Lundbeck A/S (DK) 2006-01-11 EP disclosed
WO-2004082677-A1 SUBSTITUTED P-DIAMINOBENZENE DERIVATIVES H. LUNDBECK A/S (DK) 2004-09-30 WO 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-20060183791-A1 Substituted p-diaminobenzene derivatives ABCB1, UGT2B7, CYP2D6 CYP1A2 20/4885MAPT 3488/4885CYP2C9 25/4885

“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.