Sugi Predict

Sugi Predict / Compounds / SCHEMBL310519

SCHEMBL310519

SCHEMBL310519

CC[CH]c1ccc(C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.57
▸ RAB9A P51151 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ TDP1 Q9NUW8 2/20 0.47
▸ ACHE P22303 2/20 0.47
▸ NFE2L2 Q16236 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ CA1 P00915 2/20 0.41
▸ RELA Q04206 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ MDM2 Q00987 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ FBP1 P09467 1/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ PTGS2 P35354 1/20 0.38

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
SCHEMBL2186171 0.87 ALDH1A1 (0.42) CYP2A6RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL1611178 0.81 CYP2A6 (0.50) CYP2A6RAB9ANPC1SMN1; SMN2TDP1
SCHEMBL27772432 0.78 CYP2A6 (0.52) CYP2A6RAB9ANPC1SMN1; SMN2TDP1
SCHEMBL28826379 0.78 CYP2A6 (0.52) CYP2A6RAB9ANPC1SMN1; SMN2TDP1
SCHEMBL7795364 0.78 CYP2A6 (0.52) CYP2A6RAB9ANPC1SMN1; SMN2TDP1
SCHEMBL5685278 0.78 CYP2A6 (0.52) CYP2A6RAB9ANPC1SMN1; SMN2TDP1
SCHEMBL1612718 0.78 CYP2A6 (0.46) CYP2A6RAB9ANPC1SMN1; SMN2TDP1
SCHEMBL27815319 0.77 ALDH1A1 (0.58) CYP2A6SMN1; SMN2KDM4EMAPTALDH1A1
SCHEMBL5704309 0.76 NFE2L2 (0.50) CYP2A6RAB9ANPC1SMN1; SMN2TDP1
SCHEMBL3701501 0.76 CYP2A6 (0.50) CYP2A6RAB9ANPC1SMN1; SMN2TDP1

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 531 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383637-B2 2-amino-quinazoline derivatives useful as inhibitors of β-secretase (BACE) JANSSSEN PHARMACEUTICA N.V. (BE) 2013-02-26 — — US claimed
US-20130045942-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES AND N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2013-02-21 — — US claimed
EP-2511283-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES, N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2012-10-17 — — EP claimed
EP-1776349-B1 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2010-10-06 — — EP claimed
JP-4238334-B2 — — 2009-03-18 — — JP claimed
US-20090069322-A1 N-FORMYL HYDROXYLAMINE DERIVATIVES AS INHIBITORS OF BACTERIAL POLYPEPTIDE FORMYLASE FOR TREATING MICROBIAL INFECTIONS BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2009-03-12 — — US claimed
US-7358265-B2 Oxa-and thiadiazoles and their use as metalloproteinase inhibitors VERNALIS (R&D) LTD 2008-04-15 — — US claimed
US-7323596-B2 Antibacterial or antiprotozoal activity: formula (1) formula (2) wherein: Z represents a radical of formula N(OH)CH( .dbd. O) or of formula C( .dbd. O)NH(OH); R1 represents hydrogen, methyl or trifluoromethyl, or, except when Z is a radical of DE NOVO PHARMACEUTICALS LTD. (GB) 2008-01-29 — — US claimed
US-7241921-B2 Bacterial enzyme inhibitors DE NOVO PHARMACEUTICALS LIMITED (GB) 2007-07-10 — — US claimed
US-20070129310-A1 Antibacterial agents VERNALIS (OXFORD) LTD. (GB) 2007-06-07 — — US claimed
WO-1997019053-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-05-29 — — WO claimed
WO-1997003783-A9 METALLOPROTEINASE INHIBITORS — 1997-04-03 — — WO claimed
WO-1997003783-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-02-06 — — WO claimed
EP-0740652-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1996-11-06 — — EP claimed
EP-0740655-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1996-11-06 — — EP claimed
WO-1996033165-A1 DERIVATIVES OF SUCCINAMIDE AND THEIR USE AS METALLOPROTEINASE INHIBITOR BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1996-10-24 — — WO claimed
WO-1996033161-A1 DERIVATIVES OF SUCCINAMIDE AND THEIR USE AS METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1996-10-24 — — WO claimed
WO-1996006074-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1996-02-29 — — WO claimed
WO-1995019956-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1995-07-27 — — WO claimed
WO-1995019961-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1995-07-27 — — WO claimed

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-20090069322-A1 N-FORMYL HYDROXYLAMINE DERIVATIVES AS INHIBITORS OF BACTERIAL POLYPEPTIDE FORMYLASE FOR TREATING MICROBIAL INFECTIONS FPR1, FPR3, FPR2 CYP2A6 1205/4885RAB9A 4275/4885NPC1 1549/4885
US-20130045942-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES AND N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF ADORA2A, ADORA3, ADORA1 CYP2A6 243/4885RAB9A 846/4885NPC1 695/4885
US-20070129310-A1 Antibacterial agents ARG1, SCO2, SPOUT1 CYP2A6 795/4885RAB9A 1969/4885NPC1 3764/4885

“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.