SCHEMBL7150755

SCHEMBL7150755

COc1ccc(C(=O)Nc2ccccc2)cc1NCc1ccc2c(c1)OCO2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.61
NPC1 O15118 8/20 0.61
SMN1; SMN2 Q16637 7/20 0.60
PKM P14618 2/20 0.60
TP53 P04637 3/20 0.58
HDAC1 Q13547 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
MAPT P10636 4/20 0.56
TSHR P16473 1/20 0.56
HPGD P15428 3/20 0.55
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 2/20 0.55
HSD17B10 Q99714 1/20 0.55
MAPK1 P28482 1/20 0.55
LMNA P02545 2/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL7155887 0.85 HDAC1 (0.65) RAB9ANPC1SMN1; SMN2HDAC1HDAC8
SCHEMBL7150708 0.84 RAB9A (0.60) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL7150142 0.84 HDAC8 (0.77) RAB9ANPC1SMN1; SMN2HDAC1HDAC8
SCHEMBL7147213 0.83 HDAC8 (0.69) RAB9ANPC1PKMHDAC1HDAC8
SCHEMBL7150161 0.83 HDAC8 (0.62) RAB9ANPC1SMN1; SMN2PKMHDAC1
SCHEMBL7154745 0.83 HDAC8 (0.61) RAB9ANPC1SMN1; SMN2HDAC1HDAC8
SCHEMBL7154830 0.82 HDAC1 (0.67) RAB9ANPC1HDAC1HDAC8HDAC6
SCHEMBL7154766 0.82 HDAC1 (0.67) RAB9ANPC1HDAC1HDAC8HDAC6
SCHEMBL7150002 0.82 HDAC8 (0.67) RAB9ANPC1SMN1; SMN2TP53HDAC1
SCHEMBL7150170 0.82 HDAC8 (0.67) RAB9ANPC1SMN1; SMN2PKMHDAC1

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.