SCHEMBL7150708

SCHEMBL7150708

COc1ccc(NC(=O)c2ccccc2)cc1NCc1ccc2c(c1)OCCO2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.60
NPC1 O15118 12/20 0.60
SMN1; SMN2 Q16637 8/20 0.55
MAPT P10636 7/20 0.55
TP53 P04637 6/20 0.55
TSHR P16473 2/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
GAA P10253 1/20 0.55
CASP1 P29466 1/20 0.55
PKM P14618 3/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
ALDH1A1 P00352 3/20 0.54
POLB P06746 2/20 0.54
MAOB P27338 1/20 0.53
KDM4E B2RXH2 2/20 0.52
ATM Q13315 1/20 0.52
MAPK1 P28482 1/20 0.52

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
SCHEMBL7150755 0.84 RAB9A (0.61) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL16098905 0.78 HDAC1 (0.64) SMN1; SMN2MAPTKMT2AALDH1A1KDM4E
SCHEMBL7155887 0.75 HDAC1 (0.65) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL5172898 0.74 RAB9A (0.78) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL23114368 0.73 RAB9A (0.91) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL7150142 0.73 HDAC8 (0.77) RAB9ANPC1SMN1; SMN2MAPTTSHR
SCHEMBL10383129 0.73 MEN1 (0.69) RAB9ASMN1; SMN2MAPTTSHRMEN1
SCHEMBL7147213 0.73 HDAC8 (0.69) RAB9ANPC1TSHRMEN1KMT2A
SCHEMBL7148111 0.72 MEN1 (0.65) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL7154745 0.72 HDAC8 (0.61) RAB9ANPC1SMN1; SMN2MAPTTSHR

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-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
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

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.