SCHEMBL7368271

SCHEMBL7368271

N#Cc1ccc(CON(Cl)Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.48
LOXL2 Q9Y4K0 2/20 0.48
CYP2A6 P11509 1/20 0.48
RAB9A P51151 3/20 0.47
NPC1 O15118 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
CYP19A1 P11511 3/20 0.44
CA12 O43570 1/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43
CA6 P23280 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
MAOA P21397 1/20 0.41
KCNJ1 P48048 1/20 0.40
KCNH2 Q12809 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL897246 0.83 MAOB (0.57) MAOBLOXL2CYP2A6RAB9ANPC1
SCHEMBL3401155 0.78 LOXL2 (0.56) MAOBLOXL2CYP2A6RAB9ANPC1
SCHEMBL17986288 0.76 LOXL2 (0.54) MAOBLOXL2CYP2A6RAB9ANPC1
SCHEMBL8076209 0.75 MAOB (0.48) MAOBLOXL2CYP2A6RAB9ANPC1
SCHEMBL1145138 0.74 LOXL2 (0.52) MAOBLOXL2CYP2A6RAB9ANPC1
SCHEMBL29741480 0.74 MAOB (0.81) MAOBLOXL2CYP2A6RAB9ACYP19A1
SCHEMBL18664184 0.74 MAOB (0.81) MAOBLOXL2CYP2A6RAB9ACYP19A1
SCHEMBL8728942 0.74 LOXL2 (0.52) MAOBLOXL2CYP2A6RAB9ANPC1
SCHEMBL22593283 0.74 LOXL2 (0.52) MAOBLOXL2CYP2A6RAB9ANPC1
SCHEMBL993599 0.74 CYP2A6 (0.58) MAOBLOXL2CYP2A6RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010034445-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2001-10-25 US disclosed
US-6159964-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-12-12 US disclosed
EP-0895475-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2000-08-23 EP disclosed
EP-0906103-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-07 EP disclosed
EP-0906103-A4 1999-04-07 EP disclosed
EP-0869787-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-03-24 EP disclosed
EP-0895475-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-10 EP disclosed
EP-0869787-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-14 EP disclosed
EP-0730589-B1 ISOXAZOLINE COMPOUNDS USEFUL AS FIBRINOGEN RECEPTOR ANTAGONISTS DU PONT MERCK PHARMA (US) 1998-07-08 EP disclosed
WO-1997024124-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed
WO-1997024119-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed
WO-1997024122-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed
EP-0730589-A1 ISOXAZOLINE COMPOUNDS USEFUL AS FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-09-11 EP disclosed
US-5446056-A Isoxazoline compounds useful as fibrinogen receptor antagonists THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-08-29 US disclosed
WO-1995014682-A1 ISOXAZOLINE COMPOUNDS USEFUL AS FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-06-01 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-20010034445-A1 Vitronectin receptor antagonists ADGRF1, GPR174, CALCRL MAOB 3029/4885LOXL2 1223/4885CYP2A6 2133/4885

“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.