SCHEMBL7110674

SCHEMBL7110674

COc1ccc2c(C(=O)NC(=N)N)cccc2c1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 1/20 0.53
AKR1A1 P14550 1/20 0.53
AKR1B1 P15121 1/20 0.53
PLK1 P53350 1/20 0.42
KLK1 P06870 2/20 0.37
KLK5 Q9Y337 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
ALOX12 P18054 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
RXFP1 Q9HBX9 2/20 0.36
S1PR1 P21453 1/20 0.36
CTSD P07339 1/20 0.36
KDR P35968 1/20 0.36
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35

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 SCHEMBL7113523 0.99 AKR1B10 (0.52) AKR1B10AKR1A1AKR1B1PLK1KLK1
SCHEMBL10416214 0.86 AKR1B10 (0.58) AKR1B10AKR1A1AKR1B1PLK1ALDH1A1
SCHEMBL10415791 0.83 AKR1B10 (0.60) AKR1B10AKR1A1AKR1B1PLK1MAPT
SCHEMBL10417230 0.83 AKR1B10 (0.58) AKR1B10AKR1A1AKR1B1PLK1ALDH1A1
SCHEMBL9575302 0.82 AKR1B10 (0.61) AKR1B10AKR1A1AKR1B1PLK1ALDH1A1
SCHEMBL7111907 0.81 PLK1 (0.45) PLK1KLK1KLK5ALDH1A1MAPT
SCHEMBL7089895 0.81 AKR1B10 (0.62) AKR1B10AKR1A1AKR1B1PLK1MAPT
Hydrochloric Acid SCHEMBL7109814 0.81 PLK1 (0.44) PLK1KLK1KLK5ALDH1A1MAPT
SCHEMBL10417713 0.81 AKR1B10 (0.55) AKR1B10AKR1A1AKR1B1PLK1MEN1
Acetic Acid Methyl Ester SCHEMBL9750460 0.81 PLK1 (0.57) AKR1B10AKR1A1AKR1B1PLK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6600072-B2 Cardiovascular disorders; antiischemic agents; antiarrhythmia agents AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-07-29 US claimed
US-20030013760-A1 Substituted 1-naphthoylguanidines, process for their preparation, their use as a medicament or diagnostic, and medicament containing them BRENDEL JOACHIM (DE) 2003-01-16 US claimed

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-20030013760-A1 Substituted 1-naphthoylguanidines, process for their preparation, their use as a medicament or diagnostic, and medicament containing them TNNI3, TNNT2, SCN1B AKR1B10 1228/4885AKR1A1 724/4885AKR1B1 813/4885

“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.