SCHEMBL5694477

SCHEMBL5694477

O=C(Nc1cccc2ccc(O)cc12)c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 15/20 0.77
RAB9A P51151 2/20 0.71
NPC1 O15118 1/20 0.71
CYP1A2 P05177 1/20 0.71
CYP3A4 P08684 1/20 0.71
CYP2D6 P10635 1/20 0.71
CYP2C9 P11712 1/20 0.71
CYP2C19 P33261 1/20 0.71
KDM4E B2RXH2 1/20 0.62
MEN1 O00255 1/20 0.62
MAPT P10636 1/20 0.62
KMT2A Q03164 1/20 0.62
TP53 P04637 1/20 0.56
GFER P55789 1/20 0.55

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
SCHEMBL6826358 0.94 TRPV1 (0.74) TRPV1RAB9ANPC1CYP1A2CYP3A4
SCHEMBL2747077 0.88 NPC1 (0.71) TRPV1RAB9ANPC1CYP1A2CYP3A4
SCHEMBL11726742 0.87 TRPV1 (0.76) TRPV1RAB9ANPC1CYP1A2CYP3A4
SCHEMBL11422447 0.87 TRPV1 (1.00) TRPV1RAB9ANPC1CYP1A2CYP3A4
SCHEMBL15782671 0.85 TRPV1 (0.72) TRPV1RAB9ANPC1CYP1A2CYP3A4
SCHEMBL12172779 0.84 GFER (0.69) TRPV1RAB9ANPC1KDM4EMEN1
SCHEMBL2676769 0.84 TRPV1 (0.70) TRPV1RAB9AKDM4EMEN1MAPT
SCHEMBL4642544 0.84 NPC1 (1.00) RAB9ANPC1CYP1A2CYP3A4CYP2D6
SCHEMBL30184438 0.84 NPC1 (1.00) RAB9ANPC1CYP1A2CYP3A4CYP2D6
SCHEMBL1269411 0.83 KDM4E (0.69) TRPV1RAB9AKDM4EMEN1MAPT

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-20020019414-A1 N-aryl(thio)anthranilic acid amide derivatives, their preparation and their use as VEGF receptor tyrosine kinase inhibitors NOVARTIS AG (CH) 2002-02-14 US claimed
JP-57058154-A None JP disclosed
EP-1682181-A2 COMBINATION OF A VEGF RECEPTOR INHIBITOR WITH A CHEMOTHERAPEUTIC AGENT Novartis AG (CH) 2006-07-26 EP disclosed
EP-1667721-A2 COMBINATIONS OF A VEGF RECEPTOR INHIBITOR WITH OTHER THERAPEUTIC AGENTS Novartis AG (CH) 2006-06-14 EP disclosed
WO-2005027972-A2 COMBINATION OF A VEGF RECEPTOR INHIBITOR WITH A CHEMOTHERAPEUTIC AGENT NOVARTIS AG (CH) 2005-03-31 WO disclosed
WO-2005027973-A2 COMBINATIONS OF A VEGF RECEPTOR INHIBITOR WITH OTHER THERAPEUTIC AGENTS NOVARTIS AG (CH) 2005-03-31 WO disclosed
EP-0255643-B1 METAL COMPLEX COMPOUND USEFUL AS A NEAR INFRARED ABSORBER HODOGAYA CHEMICAL CO., LTD. (JP) 1991-10-09 EP disclosed
US-4977249-A FOR OPTICAL FILTERS OR SHIELDS HODOGAYA CHEMICAL CO., LTD. (JP) 1990-12-11 US disclosed
EP-0255643-A2 Metal complex compound useful as a near infrared absorber HODOGAYA CHEMICAL CO., LTD. (JP) 1988-02-10 EP disclosed
US-4390611-A Electrophotographic photosensitive azo pigment containing members CANON KABUSHIKI KAISHA (JP) 1983-06-28 US disclosed
JP-S5758154-A ELECTROPHOTOGRAPHIC RECEPTOR COPYER CO LTD 1982-04-07 JP disclosed
US-4219473-A Substituted unsymmetrical azo, azomethine 1:2 chromium complexes CIBA-GEIGY CORPORATION (US) 1980-08-26 US disclosed
US-4053462-A UNSYMMETRICAL PHENYL AZO NAPHTHYL CHROMIUM COMPLEX DYES CIBA-GEIGY CORPORATION (US) 1977-10-11 US disclosed
US-4046752-A Process for preparing an azo compound from a 2-aminothiazole diazo component HOECHST AKTIENGESELLSCHAFT (DT) 1977-09-06 US disclosed
US-4005065-A GOOD FASTNESS TO LIGHT, PERSPIRATION, FULLING, DECATIZING AND CARBONIZING CIBA-GEIGY CORPORATION (US) 1977-01-25 US disclosed
US-3939142-A Phenylazophenyl dyestuff HOECHST AKTIENGESELLSCHAFT (DT) 1976-02-17 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-20020019414-A1 N-aryl(thio)anthranilic acid amide derivatives, their preparation and their use as VEGF receptor tyrosine kinase inhibitors AXL, TYRO3, KDR TRPV1 3894/4885RAB9A 1026/4885NPC1 4229/4885

“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.