SCHEMBL6416083

SCHEMBL6416083

CC(C)(C)NC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.60
RAB9A P51151 2/20 0.60
CTDSP1 Q9GZU7 1/20 0.60
SMN1; SMN2 Q16637 4/20 0.54
CYP2C9 P11712 1/20 0.54
EPHX1 P07099 1/20 0.54
MAPT P10636 3/20 0.53
PTPN1 P18031 1/20 0.53
LMNA P02545 1/20 0.53
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 1/20 0.53
GAA P10253 1/20 0.53
AGTR1 P30556 1/20 0.53
HTT P42858 1/20 0.53
HPGDS O60760 1/20 0.51

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
SCHEMBL408310 0.88 CYP2C9 (0.67) NPC1RAB9ASMN1; SMN2CYP2C9EPHX1
SCHEMBL29201540 0.86 CYP2C9 (0.65) NPC1RAB9ASMN1; SMN2CYP2C9EPHX1
Fluoride SCHEMBL2310518 0.86 CYP2C9 (0.65) NPC1RAB9ASMN1; SMN2CYP2C9EPHX1
Hydrochloric Acid SCHEMBL22076570 0.86 CYP2C9 (0.65) NPC1RAB9ASMN1; SMN2CYP2C9EPHX1
Bromide SCHEMBL6851253 0.86 CYP2C9 (0.65) NPC1RAB9ASMN1; SMN2CYP2C9EPHX1
SCHEMBL17865779 0.85 LMNA (0.58) SMN1; SMN2CYP2C9EPHX1MAPTLMNA
SCHEMBL14714456 0.85 NPC1 (0.56) NPC1RAB9ACTDSP1SMN1; SMN2MAPT
SCHEMBL3037706 0.85 HDAC1 (0.60) LMNAHTTJAK2
SCHEMBL13701695 0.84 HDAC8 (0.64) CTDSP1SMN1; SMN2CYP2C9EPHX1MAPT
SCHEMBL13270520 0.83 JAK2 (0.57) MAPTLMNAMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105102449-B Antiviral compound 豪夫迈·罗氏有限公司 2017-06-13 CN disclosed
US-20160168185-A1 NON-RIBOSE CONTAINING INHIBITORS OF HISTONE METHYLTRANSFERASE DOT1L FOR CANCER TREATMENT BAYLOR COLLEGE OF MEDICINE (US) 2016-06-16 US disclosed
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2010-10-07 US disclosed
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 US disclosed
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 US disclosed
US-6936736-B2 Amide derivative SUMITOMO MANUFACTURING COMPANY LIMITED (JP) 2005-08-30 US disclosed
EP-1034783-B1 AMIDE DERIVATIVES FOR THE TREATMENT OF RETINAL NEURODEGENERATIVE DISORDERS SUMITOMO PHARMA (JP) 2004-12-15 EP disclosed
US-20020147204-A1 Amide derivative SUMITOMO PHARMACEUTICALS COMPANY, LIMITED 2002-10-10 US disclosed
US-6384033-B1 DRUGS FOR VISION DEFECTS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2002-05-07 US disclosed
EP-1034783-A1 AMIDE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-09-13 EP disclosed
US-6080870-A Biaryl substituted imidazole compounds useful as farnesyl-protein transferase inhibitors MERCK & CO., INC. (US) 2000-06-27 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 (4 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-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ROR1, CYP11B1, CYP11B2 NPC1 2180/4885RAB9A 2498/4885CTDSP1 1114/4885
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors EPHX1, EPHX2, EPX NPC1 1477/4885RAB9A 2708/4885CTDSP1 2363/4885
US-20160168185-A1 NON-RIBOSE CONTAINING INHIBITORS OF HISTONE METHYLTRANSFERASE DOT1L FOR CANCER TREATMENT DOT1L, CARM1, NSD1 NPC1 1162/4885RAB9A 1932/4885CTDSP1 505/4885
US-20020147204-A1 Amide derivative ALDH1A2, NR1H2, HDAC3 NPC1 300/4885RAB9A 788/4885CTDSP1 3497/4885

“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.