SCHEMBL7152809

SCHEMBL7152809

O=C(Nc1ccccc1)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.75
NPC1 O15118 2/20 0.74
RAB9A P51151 1/20 0.74
SMN1; SMN2 Q16637 1/20 0.74
PGR P06401 2/20 0.73
MEN1 O00255 3/20 0.71
KMT2A Q03164 3/20 0.71
HDAC8 Q9BY41 2/20 0.71
NR1H4 Q96RI1 1/20 0.68
FABP1 P07148 1/20 0.68
KCNK3 O14649 1/20 0.66
KCNK9 Q9NPC2 1/20 0.66
CASP3 P42574 1/20 0.64
SENP8 Q96LD8 1/20 0.64
SENP7 Q9BQF6 1/20 0.64
SENP6 Q9GZR1 1/20 0.64
AKR1C3 P42330 1/20 0.64
AR P10275 1/20 0.63
HDAC1 Q13547 1/20 0.63
HDAC2 Q92769 1/20 0.63

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
SCHEMBL13601054 0.98 NPC1 (0.77) FFAR1NPC1RAB9ASMN1; SMN2PGR
SCHEMBL8737301 0.91 FFAR1 (0.69) FFAR1NPC1RAB9ASMN1; SMN2PGR
SCHEMBL9240473 0.90 PGR (0.84) FFAR1NPC1RAB9ASMN1; SMN2PGR
SCHEMBL22543145 0.90 NR1H4 (0.78) FFAR1NPC1RAB9APGRMEN1
SCHEMBL94989 0.90 PGR (0.68) FFAR1NPC1RAB9ASMN1; SMN2PGR
SCHEMBL27874895 0.88 NPC1 (0.73) FFAR1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL30949335 0.86 PGR (0.87) NPC1RAB9ASMN1; SMN2PGRMEN1
SCHEMBL5226157 0.85 NPC1 (1.00) NPC1RAB9ASMN1; SMN2PGRMEN1
SCHEMBL12189652 0.85 NR1H4 (0.63) FFAR1NPC1RAB9ASMN1; SMN2PGR
SCHEMBL5694520 0.84 PGR (1.00) NPC1RAB9ASMN1; SMN2PGRMEN1

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 FFAR1 495/4885NPC1 230/4885RAB9A 4084/4885

“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.