SCHEMBL12427201

SCHEMBL12427201

Cn1cnc(-c2cccs2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 2/20 0.47
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 6/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
HPGD P15428 4/20 0.47
MAPT P10636 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 3/20 0.45
CYP2E1 P05181 1/20 0.45
CYP2A6 P11509 1/20 0.45
CYP2B6 P20813 1/20 0.45
GAA P10253 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HSD17B10 Q99714 3/20 0.43
CASP1 P29466 2/20 0.43

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
SCHEMBL2720030 0.73 CYP2C9 (0.43) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL5717622 0.72 FYN (0.40) FYNALDH1A1KDM4EMEN1KMT2A
SCHEMBL5319798 0.71 MIF (0.46) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL21398161 0.71 KDM4E (0.63) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL15426807 0.70 KDM4E (0.47) FYNALDH1A1KDM4EMEN1KMT2A
SCHEMBL11562431 0.70 CCR1 (0.57) FYNALDH1A1KDM4EMEN1KMT2A
SCHEMBL16039279 0.70 MAP4K4 (0.47) FYNALDH1A1KDM4EMEN1KMT2A
SCHEMBL5759169 0.70 HPGDS (0.54) ALDH1A1KDM4EKMT2ANPC1RAB9A
SCHEMBL1781579 0.70 KDM4E (0.56) FYNALDH1A1KDM4EMEN1KMT2A
SCHEMBL9385111 0.69 KMT2A (0.51) FYNALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977334-B2 N-(3-{2-[3-(6-amino-benzimidazol-1-yl)-1,1-dimethyl-propylamino]-1-hydroxy-ethyl}-phenyl)-benzenesulphonamide; beta(3)-Adrenoceptor agonists; antidiabetic, obesity modulator, insulin resistance BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-12 US disclosed
US-20090221589-A1 Use of aminoalcohol derivatives for the treatment of overactive bladder TRIESELMANN THOMAS 2009-09-03 US disclosed
US-20080234278-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions TRIESELMANN THOMAS 2008-09-25 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 (2 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-20080234278-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions ADRB1, ADRB3, ADRB2 FYN 1799/4885ALDH1A1 674/4885KDM4E 4431/4885
US-20090221589-A1 Use of aminoalcohol derivatives for the treatment of overactive bladder ADRB2, ADRB1, ADRB3 FYN 3620/4885ALDH1A1 172/4885KDM4E 4163/4885

“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.