SCHEMBL6809719

SCHEMBL6809719

COc1ccc(NC(=O)c2ccccc2)cc1N

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.64
NPC1 O15118 6/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
TP53 P04637 2/20 0.64
KDM4E B2RXH2 2/20 0.64
ESR1 P03372 1/20 0.64
ESR2 Q92731 1/20 0.64
KCNK9 Q9NPC2 3/20 0.60
KCNK3 O14649 2/20 0.60
NLRP3 Q96P20 1/20 0.58
KMT2A Q03164 5/20 0.58
MEN1 O00255 4/20 0.58
HTT P42858 1/20 0.57
ALDH1A1 P00352 1/20 0.57
ATM Q13315 1/20 0.57
LMNA P02545 1/20 0.56
NQO2 P16083 1/20 0.56
CASP3 P42574 1/20 0.56
SENP7 Q9BQF6 1/20 0.56

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
Nitrogen SCHEMBL28355622 0.97 RAB9A (0.61) RAB9ANPC1SMN1; SMN2TP53KDM4E
SCHEMBL16098149 0.92 TRPV1 (0.62) RAB9ANPC1SMN1; SMN2TP53KDM4E
SCHEMBL11592458 0.92 KMT2A (0.69) RAB9ANPC1SMN1; SMN2KDM4EKMT2A
SCHEMBL5473499 0.88 KCNK9 (0.60) RAB9ANPC1SMN1; SMN2TP53KDM4E
SCHEMBL11693468 0.87 NPC1 (0.60) RAB9ANPC1SMN1; SMN2TP53KDM4E
SCHEMBL11309004 0.87 NPC1 (0.76) RAB9ANPC1SMN1; SMN2TP53KDM4E
SCHEMBL5492048 0.86 RAB9A (0.75) RAB9ANPC1SMN1; SMN2TP53KDM4E
SCHEMBL11318579 0.86 NPC1 (0.58) RAB9ANPC1SMN1; SMN2TP53KDM4E
SCHEMBL4197916 0.86 ALDH1A1 (0.60) RAB9ANPC1SMN1; SMN2TP53KDM4E
SCHEMBL610530 0.85 MEN1 (0.72) RAB9ANPC1SMN1; SMN2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010031874-A1 Thiourea and benzamide compounds, compositions and methods of treating or preventing inflammatory diseases and atherosclerosis CONNOR DAVID THOMAS (US) 2001-10-18 US claimed
EP-1042276-A1 THIOUREA COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING OR PREVENTING INFLAMMATORY DISEASES AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY LLC (US) 2000-10-11 EP claimed
WO-1999032433-A1 THIOUREA AND BENZAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING OR PREVENTING INFLAMMATORY DISEASES AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1999-07-01 WO claimed
CN-122102937-A Preparation method of 3-amino-4-methoxy-N-phenylbenzamide 2026-05-29 CN disclosed
CN-110787747-B Tubular micro mixer and continuous preparation method of azo pigment by using same 天津大学 2020-09-29 CN disclosed
CN-110787747-A Tubular micro mixer and continuous preparation method of azo pigment by using same 天津大学 2020-02-14 CN disclosed
WO-2008113711-A1 SUBSTITUTED PYRIMIDODIAZEPINES USEFUL AS PLK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-09-25 WO disclosed
EP-1042276-B1 THIOUREA COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING OR PREVENTING INFLAMMATORY DISEASES AND ATHEROSCLEROSIS WARNER LAMBERT CO (US) 2004-11-17 EP disclosed
US-6528528-B2 Inhibitors of 15-lipoxygenase, inhibiting chemotaxis of monocytes WARNER-LAMBERT COMPANY 2003-03-04 US disclosed
US-20010031874-A1 Thiourea and benzamide compounds, compositions and methods of treating or preventing inflammatory diseases and atherosclerosis CONNOR DAVID THOMAS (US) 2001-10-18 US disclosed
US-6268387-B1 INHIBITORS OF THE ENZYME 15-LIPOXYGENASE AND ARE INHIBITORS OF MONOCYTE CHEMOTAXIS. WARNER-LAMBERT COMPANY 2001-07-31 US disclosed
EP-1042276-A1 THIOUREA COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING OR PREVENTING INFLAMMATORY DISEASES AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY LLC (US) 2000-10-11 EP disclosed
WO-1999032433-A1 THIOUREA AND BENZAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING OR PREVENTING INFLAMMATORY DISEASES AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1999-07-01 WO disclosed
US-4263205-A FOR COLORING POLYMERS, LACQUERS CIBA-GEIGY CORPORATION (US) 1981-04-21 US disclosed
US-4080321-A COLORFASTNESS HOECHST AKTIENGESELLSCHAFT (DT) 1978-03-21 US disclosed
US-4007213-A Process for preparing 1-(N-β-cyanethylaminol-3-acylaminobenzenes HOECHST AKTIENGESELLSCHAFT (DT) 1977-02-08 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-20010031874-A1 Thiourea and benzamide compounds, compositions and methods of treating or preventing inflammatory diseases and atherosclerosis TPMT, CTH, CBS RAB9A 4084/4885NPC1 230/4885SMN1; SMN2 4605/4885

“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.