SCHEMBL7602441

SCHEMBL7602441

COc1ccc(NC(=N)c2cccs2)cc1CN1CCC[C@H]1CO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QRFPR Q96P65 2/20 0.49
ALDH1A1 P00352 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 4/20 0.41
KMT2A Q03164 3/20 0.41
CD274 Q9NZQ7 3/20 0.41
PDCD1LG2 Q9BQ51 2/20 0.41
KDM4E B2RXH2 1/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
HPGD P15428 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
SPHK2 Q9NRA0 1/20 0.39
FAAH O00519 2/20 0.39
PDCD1 Q15116 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL7605866 1.00 QRFPR (0.49) QRFPRALDH1A1NPSR1LMNAKMT2A
Hydrochloric Acid SCHEMBL7597208 0.99 QRFPR (0.48) QRFPRALDH1A1NPSR1LMNAKMT2A
Hydrochloric Acid SCHEMBL7602946 0.99 QRFPR (0.48) QRFPRALDH1A1NPSR1LMNAKMT2A
SCHEMBL7599133 0.89 ALDH1A1 (0.40) QRFPRALDH1A1NPSR1LMNAKMT2A
SCHEMBL7696514 0.85 LMNA (0.41) QRFPRALDH1A1LMNAKMT2ACD274
SCHEMBL7600302 0.84 LMNA (0.42) QRFPRALDH1A1LMNAKMT2ACD274
SCHEMBL7598793 0.84 LMNA (0.42) QRFPRALDH1A1LMNAKMT2ACD274
SCHEMBL7565017 0.83 QRFPR (0.52) QRFPRALDH1A1NPSR1LMNAKMT2A
Hydrochloric Acid SCHEMBL7570402 0.82 QRFPR (0.51) QRFPRALDH1A1NPSR1LMNAKMT2A
SCHEMBL7598672 0.81 ACKR3 (0.46) ALDH1A1LMNASPHK2

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 1455/4885ALDH1A1 449/4885NPSR1 695/4885

“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.