SCHEMBL7602786

SCHEMBL7602786

COc1ccc(NC(=N)c2cccs2)cc1CNCCO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QRFPR Q96P65 2/20 0.48
KMT2A Q03164 7/20 0.47
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 5/20 0.46
GAA P10253 3/20 0.46
TP53 P04637 2/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 5/20 0.45
KLK7 P49862 1/20 0.44
MAPT P10636 4/20 0.42
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HPGD P15428 1/20 0.41
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPSR1 Q6W5P4 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
Hydrochloric Acid SCHEMBL7602396 0.99 QRFPR (0.47) QRFPRKMT2AALDH1A1MEN1GAA
SCHEMBL7600558 0.90 QRFPR (0.47) QRFPRKMT2AALDH1A1MEN1GAA
SCHEMBL7568595 0.90 QRFPR (0.47) QRFPRKMT2AALDH1A1MEN1GAA
Hydrochloric Acid SCHEMBL7566145 0.89 QRFPR (0.46) QRFPRKMT2AALDH1A1MEN1GAA
SCHEMBL7601237 0.87 ALDH1A1 (0.37) QRFPRKMT2AALDH1A1MEN1GAA
SCHEMBL7564080 0.86 KMT2A (0.51) QRFPRKMT2AALDH1A1MEN1GAA
SCHEMBL7562849 0.86 KMT2A (0.53) QRFPRKMT2AALDH1A1MEN1GAA
Hydrochloric Acid SCHEMBL7598756 0.86 ALDH1A1 (0.38) QRFPRKMT2AALDH1A1MEN1GAA
Hydrochloric Acid SCHEMBL7563782 0.85 KMT2A (0.50) QRFPRKMT2AALDH1A1MEN1GAA
SCHEMBL7562891 0.85 QRFPR (0.46) QRFPRKMT2AALDH1A1MEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020137750-A1 Amidine derivatives which are inhibitors of nitric oxide synthase ASTRAZENECA AB (SE) 2002-09-26 US claimed
WO-2001046171-A1 AMIDINE DERIVATIVES WHICH ARE INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2001-06-28 WO claimed
US-20020137750-A1 Amidine derivatives which are inhibitors of nitric oxide synthase ASTRAZENECA AB (SE) 2002-09-26 US disclosed
WO-2001046171-A1 AMIDINE DERIVATIVES WHICH ARE INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2001-06-28 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 (1 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-20020137750-A1 Amidine derivatives which are inhibitors of nitric oxide synthase NOS1, NOS2, NOS3 QRFPR 1455/4885KMT2A 3787/4885ALDH1A1 449/4885

“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.