SCHEMBL7602422

SCHEMBL7602422

CCC(CC)Oc1ccc(NC(=N)c2cccs2)cc1CN(C)CCO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QRFPR Q96P65 2/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 5/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
MEN1 O00255 3/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 4/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
KLK7 P49862 2/20 0.32
BCHE P06276 4/20 0.32
KDM4E B2RXH2 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 1/20 0.32

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 SCHEMBL7599408 0.99 QRFPR (0.35) QRFPRKMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL7598787 0.90 KMT2A (0.39) QRFPRKMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL7971729 0.87 QRFPR (0.47) QRFPRKMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL7562875 0.87 KMT2A (0.40) QRFPRKMT2AALDH1A1SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL7598799 0.86 QRFPR (0.46) QRFPRKMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL7597196 0.83 ATM (0.39) QRFPRKMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL7601237 0.83 ALDH1A1 (0.37) QRFPRKMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL7565048 0.83 KMT2A (0.39) QRFPRKMT2AALDH1A1SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL7562377 0.83 KMT2A (0.39) QRFPRKMT2AALDH1A1SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL7598756 0.83 ALDH1A1 (0.38) QRFPRKMT2AALDH1A1SMN1; SMN2NPC1

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.