SCHEMBL2069644

SCHEMBL2069644

CCOC(=O)Nc1ccc(N)cc1C

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.73
CYP1A2 P05177 2/20 0.61
CYP2C9 P11712 2/20 0.61
CYP2C19 P33261 2/20 0.61
MAPT P10636 1/20 0.55
RAD52 P43351 1/20 0.52
KDR P35968 3/20 0.50
NLRP3 Q96P20 1/20 0.49
KCNQ3 O43525 2/20 0.48
KCNQ2 O43526 2/20 0.48
KCNQ4 P56696 1/20 0.48
KCNQ5 Q9NR82 1/20 0.48
ALDH1A1 P00352 4/20 0.48
HPGD P15428 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HSD17B10 Q99714 2/20 0.48
KDM4E B2RXH2 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
EGFR P00533 1/20 0.47

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
SCHEMBL2069726 0.89 SMN1; SMN2 (0.59) SMN1; SMN2CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL11451154 0.87 CYP1A2 (0.61) SMN1; SMN2CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL10876647 0.87 NLRP3 (0.60) SMN1; SMN2CYP1A2CYP2C9CYP2C19KDR
SCHEMBL2072406 0.86 CYP1A2 (0.59) SMN1; SMN2CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL656064 0.86 CYP1A2 (0.59) SMN1; SMN2CYP1A2CYP2C9CYP2C19NLRP3
SCHEMBL11654725 0.85 MAPT (0.59) SMN1; SMN2CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL12407193 0.85 SMN1; SMN2 (1.00) SMN1; SMN2CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL11722034 0.84 CYP1A2 (0.58) SMN1; SMN2CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL2070682 0.84 CYP1A2 (0.58) SMN1; SMN2CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL14637560 0.84 HDAC1 (0.60) SMN1; SMN2CYP1A2CYP2C9CYP2C19NLRP3

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 8 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
CN-1761464-A Substituted p-diaminobenzene derivatives LUNDBECK & CO AS H (DK) 2006-04-19 CN 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
EP-0083096-B1 PRODUCTION OF URETHANE COMPOUNDS Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1987-02-25 EP disclosed
US-4621149-A PLATINUM GROUP METAL HALOGEN OR HALOGEN COMPOUND ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1986-11-04 US disclosed
EP-0083096-A2 Production of urethane compounds Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1983-07-06 EP 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 SMN1; SMN2 2951/4885CYP1A2 20/4885CYP2C9 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.