Sugi Predict

Sugi Predict / Compounds / SCHEMBL1503537

SCHEMBL1503537

SCHEMBL1503537

OCc1ccnc(-c2ccccc2C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 2/20 0.49
▸ CYP1A2 P05177 13/20 0.48
▸ CYP2C19 P33261 9/20 0.48
▸ CYP3A4 P08684 8/20 0.48
▸ TSHR P16473 6/20 0.48
▸ CYP2D6 P10635 5/20 0.48
▸ HIF1A Q16665 3/20 0.48
▸ TGFBR1 P36897 1/20 0.47
▸ ALOX15 P16050 5/20 0.45
▸ HSD17B10 Q99714 4/20 0.45
▸ CLK4 Q9HAZ1 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ USP2 O75604 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ RECQL P46063 1/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ PDCD1 Q15116 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
SCHEMBL2408360 0.85 CYP1A2 (0.48) KMOCYP1A2CYP2C19CYP3A4TSHR
SCHEMBL8305847 0.77 KMO (0.43) KMOCYP1A2CYP2C19CYP3A4TSHR
SCHEMBL2407289 0.76 RECQL (0.53) CYP1A2CYP2C19CYP3A4TSHRCYP2D6
SCHEMBL11366503 0.75 NR1H2 (0.38) KMORECQL
SCHEMBL5107422 0.75 P2RX7 (0.37) KDM4EALDH1A1LMNARECQLPDCD1
SCHEMBL1411265 0.74 RECQL (0.61) HSD17B10RECQLPDCD1CD274
SCHEMBL29393772 0.74 RECQL (0.61) HSD17B10RECQLPDCD1CD274
SCHEMBL11353810 0.74 HTR2C (0.45) TGFBR1HSD17B10KDM4EALDH1A1RECQL
SCHEMBL30090604 0.73 TGFBR1 (0.56) KMOCYP1A2CYP2C19CYP3A4TSHR
SCHEMBL4166620 0.73 TGFBR1 (0.56) KMOCYP1A2CYP2C19CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9687476-B2 Bisaryl-bonded aryltriazolones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-06-27 — — US disclosed
US-9687476-B2 Bisaryl-bonded aryltriazolones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-06-27 — — US disclosed
US-9687476-B2 Bisaryl-bonded aryltriazolones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-06-27 — — US disclosed
EP-2539326-B1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER IP GMBH (DE) 2017-05-03 — — EP disclosed
EP-2539326-B1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER IP GMBH (DE) 2017-05-03 — — EP disclosed
US-20160051518-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-25 — — US disclosed
US-9266848-B2 4-alkoxy-N-(2-hydroxycarbamoyl-2-piperidinyl-ethyl)-benzamide compounds as selective TACE-inhibitors for the treatment of inflammatory diseases GALDERMA RESEARCH & DEVELOPMENT (FR) 2016-02-23 — — US disclosed
US-9187466-B2 Bisaryl-bonded aryltriazolones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-17 — — US disclosed
US-9187466-B2 Bisaryl-bonded aryltriazolones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-17 — — US disclosed
US-9187466-B2 Bisaryl-bonded aryltriazolones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-17 — — US disclosed
CN-103189363-B Biaryl linked aryl triazolones and uses thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-29 — — CN disclosed
EP-2477969-B1 4-ALKOXY-N-(2-HYDROXYCARBAMOYL-2-PIPERIDINYL-ETHYL)-BENZAMIDE COMPOUNDS AS SELECTIVE TACE-INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES. GALDERMA RES & DEV (FR) 2013-10-23 — — EP disclosed
US-20130190330-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-25 — — US disclosed
US-20130190330-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-25 — — US disclosed
US-20130190330-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-25 — — US disclosed
US-20120226033-A1 4-ALKOXY-N- (2-HYDROXYCARBAMOYL-2-PIPERIDINYL-ETHYL) -BENZAMIDE COMPOUNDS AS SELECTIVE TACE-INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-09-06 — — US disclosed
EP-2477969-A1 4-ALKOXY-N- (2-HYDROXYCARBAMOYL-2-PIPERIDINYL-ETHYL) -BENZAMIDE COMPOUNDS AS SELECTIVE TACE-INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES Galderma Research & Development (FR) 2012-07-25 — — EP disclosed
WO-2011104322-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-09-01 — — WO disclosed
WO-2011033010-A1 4-ALKOXY-N- (2-HYDROXYCARBAMOYL-2-PIPERIDINYL-ETHYL) -BENZAMIDE COMPOUNDS AS SELECTIVE TACE-INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-03-24 — — 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 (3 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-20130190330-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF NAT1, AADAC, TNNI3 KMO 387/4885CYP1A2 249/4885CYP2C19 660/4885
US-20160051518-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF NAT1, AADAC, TNNI3 KMO 387/4885CYP1A2 249/4885CYP2C19 660/4885
US-20120226033-A1 4-ALKOXY-N- (2-HYDROXYCARBAMOYL-2-PIPERIDINYL-ETHYL) -BENZAMIDE COMPOUNDS AS SELECTIVE TACE-INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES TPSAB1, CTSB, TPSB2 KMO 768/4885CYP1A2 257/4885CYP2C19 322/4885

“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.