SCHEMBL306105

SCHEMBL306105

COCNC(=O)c1ccccn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.62
ALDH1A1 P00352 2/20 0.62
KMT2A Q03164 5/20 0.58
KDM4E B2RXH2 3/20 0.56
HTT P42858 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
KDM4C Q9H3R0 1/20 0.56
NPC1 O15118 3/20 0.55
PKM P14618 3/20 0.55
RAB9A P51151 3/20 0.55
MAPT P10636 1/20 0.55
EPHX2 P34913 1/20 0.54
MEN1 O00255 3/20 0.54
HPGD P15428 1/20 0.52
CDK5 Q00535 1/20 0.52
PAX8 Q06710 1/20 0.52
CDK5R1 Q15078 1/20 0.52
MITF O75030 1/20 0.52
LMNA P02545 1/20 0.52
ALOX15 P16050 1/20 0.52

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
SCHEMBL27719491 0.85 ALDH1A1 (0.69) SMN1; SMN2ALDH1A1KMT2AKDM4EHTT
SCHEMBL30265358 0.85 ALDH1A1 (0.69) SMN1; SMN2ALDH1A1KMT2AKDM4EHTT
Hydrochloric Acid SCHEMBL29898813 0.84 ALDH1A1 (0.68) SMN1; SMN2ALDH1A1KMT2AKDM4EHTT
SCHEMBL12895235 0.83 ALDH1A1 (0.74) SMN1; SMN2ALDH1A1KMT2AKDM4EHTT
SCHEMBL28488545 0.82 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1KMT2AKDM4EHTT
SCHEMBL2516053 0.81 KDM4E (0.69) SMN1; SMN2ALDH1A1KMT2AKDM4EHTT
SCHEMBL31658991 0.80 KMT2A (0.83) SMN1; SMN2ALDH1A1KMT2AEPHX2MEN1
SCHEMBL9341104 0.80 KMT2A (0.83) SMN1; SMN2ALDH1A1KMT2AEPHX2MEN1
SCHEMBL12315979 0.80 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1KMT2AKDM4EHTT
SCHEMBL4079623 0.80 KDM4C (0.54) SMN1; SMN2ALDH1A1KMT2AL3MBTL1KDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300433-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE Ambrilia Biopharma Inc. (CA) 2011-03-30 EP claimed
WO-2009146555-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE AMBRILIA BIOPHARMA INC. (CA) 2009-12-10 WO claimed
US-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2022-09-06 US disclosed
US-20200147066-A1 Heteroaryl Sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. 2020-05-14 US disclosed
CN-109996546-A P2X3And/or P2X2/3Compounds and methods 阿沙纳生物科学公司 2019-07-09 CN disclosed
US-20190167651-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX, INC. 2019-06-06 US disclosed
US-10206912-B2 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2019-02-19 US disclosed
US-20170095458-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2017-04-06 US disclosed
WO-2014120658-A1 FUSED MULTICYCLIC 3-AMINO-5,6-DIHYDRO-2H-1,4-THIAZINE DERIVATIVES AND THEIR USE AS BETA-SECRETASE INHIBITORS AMGEN INC. (US) 2014-08-07 WO disclosed
US-8742123-B2 HIV integrase inhibitors from pyridoxine TAIMED BIOLOGICS, INC. (TW) 2014-06-03 US disclosed
WO-2014059185-A1 AMINO - DIHYDROTHIAZINE AND AMINO - DIOXIDO DIHYDROTHIAZINE COMPOUNDS AS BETA-SECRETASE ANTAGONISTS AND METHODS OF USE AMGEN INC. (US) 2014-04-17 WO disclosed
US-20060030612-A1 Indazoles useful in treating cardiovascular diseases WYETH (US) 2006-02-09 US disclosed
WO-2005019151-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-03-03 WO disclosed
US-20050010048-A1 Aza-and polyaza-naphthalenly ketones useful as hiv integrase inhibitors ZHUANG LINGHANG (US) 2005-01-13 US disclosed
US-20030229079-A1 1-(Aromatic- or heteroaromatic-substituted)-3-(heteroaromatic substituted)-1,3-propanediones and uses thereof PAYNE LINDA S (US) 2003-12-11 US disclosed
EP-1333831-A2 AZA-AND POLYAZA-NAPHTHALENYL KETONES USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2003-08-13 EP disclosed
EP-1196384-A4 1-(AROMATIC- OR HETEROAROMATIC-SUBSTITUTED)-3-(HETEROAROMATIC SUBSTITUTED)-1,3-PROPANEDIONES AND USES THEREOF MERCK & CO INC (US) 2002-10-23 EP disclosed
WO-2002036734-A2 AZA-AND POLYAZA-NAPHTHALENYL KETONES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2002-05-10 WO disclosed
EP-1196384-A1 1-(AROMATIC- OR HETEROAROMATIC-SUBSTITUTED)-3-(HETEROAROMATIC SUBSTITUTED)-1,3-PROPANEDIONES AND USES THEREOF Merck & Co., Inc. (US) 2002-04-17 EP disclosed
WO-2001000578-A1 1-(AROMATIC- OR HETEROAROMATIC-SUBSTITUTED)-3-(HETEROAROMATIC SUBSTITUTED)-1,3-PROPANEDIONES AND USES THEREOF MERCK & CO., INC. (US) 2001-01-04 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 (8 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-20060030612-A1 Indazoles useful in treating cardiovascular diseases NR1H2, NR1H3, CYP46A1 SMN1; SMN2 4704/4885ALDH1A1 483/4885KMT2A 2373/4885
US-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 SMN1; SMN2 1898/4885ALDH1A1 2834/4885KMT2A 2475/4885
US-10206912-B2 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 SMN1; SMN2 1898/4885ALDH1A1 2834/4885KMT2A 2475/4885
US-20050010048-A1 Aza-and polyaza-naphthalenly ketones useful as hiv integrase inhibitors POLI, CYP51A1, DUT SMN1; SMN2 3466/4885ALDH1A1 1974/4885KMT2A 103/4885
US-20030229079-A1 1-(Aromatic- or heteroaromatic-substituted)-3-(heteroaromatic substituted)-1,3-propanediones and uses thereof CYP2S1, IMPDH1, IDO1 SMN1; SMN2 4337/4885ALDH1A1 145/4885KMT2A 3589/4885
US-20170095458-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CCR2, CCR9, CCR1 SMN1; SMN2 1898/4885ALDH1A1 2834/4885KMT2A 2475/4885
US-20200147066-A1 Heteroaryl Sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 SMN1; SMN2 1898/4885ALDH1A1 2834/4885KMT2A 2475/4885
US-20190167651-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CCR2, CCR9, CCR1 SMN1; SMN2 1898/4885ALDH1A1 2834/4885KMT2A 2475/4885

“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.