SCHEMBL7602445

SCHEMBL7602445

CCC(CC)Oc1ccc(NC(=N)c2cccs2)cc1CNCCCCO

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.35
QRFPR Q96P65 2/20 0.35
KMT2A Q03164 8/20 0.35
KDM4E B2RXH2 3/20 0.34
MEN1 O00255 5/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
GAA P10253 3/20 0.34
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
TP53 P04637 2/20 0.34
LMNA P02545 2/20 0.34
KLK7 P49862 1/20 0.33
MAPT P10636 5/20 0.33
MAPK1 P28482 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 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 SCHEMBL7609385 0.99 ALDH1A1 (0.37) ALDH1A1QRFPRKMT2AKDM4EMEN1
SCHEMBL7601237 0.93 ALDH1A1 (0.37) ALDH1A1QRFPRKMT2AKDM4EMEN1
Hydrochloric Acid SCHEMBL7598756 0.93 ALDH1A1 (0.38) ALDH1A1QRFPRKMT2AKDM4EMEN1
SCHEMBL7600362 0.91 KMT2A (0.38) ALDH1A1QRFPRKMT2AKDM4EMEN1
SCHEMBL7598866 0.91 QRFPR (0.36) ALDH1A1QRFPRKMT2AKDM4EMEN1
Hydrochloric Acid SCHEMBL7597175 0.90 QRFPR (0.35) ALDH1A1QRFPRKMT2AKDM4EMEN1
SCHEMBL7565048 0.85 KMT2A (0.39) ALDH1A1QRFPRKMT2AKDM4EMEN1
SCHEMBL7562875 0.85 KMT2A (0.40) ALDH1A1QRFPRKMT2AKDM4EMEN1
SCHEMBL7566369 0.84 QRFPR (0.39) ALDH1A1QRFPRKMT2AMEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL7567157 0.83 QRFPR (0.39) ALDH1A1QRFPRKMT2AMEN1SMN1; SMN2

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-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

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 ALDH1A1 449/4885QRFPR 1455/4885KMT2A 3787/4885

“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.