SCHEMBL7108672

SCHEMBL7108672

COc1ccc2c(C(=O)NC(=N)N)cccc2c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.58
KDR P35968 6/20 0.50
AURKA O14965 4/20 0.50
MET P08581 4/20 0.50
TEK Q02763 4/20 0.50
AURKB Q96GD4 2/20 0.50
PDGFRA P16234 1/20 0.47
MTNR1B P49286 1/20 0.46
POLB P06746 1/20 0.45
LCK P06239 1/20 0.45
PLG P00747 2/20 0.45
KLK1 P06870 2/20 0.45
KLK6 Q92876 2/20 0.45

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 SCHEMBL7107874 0.99 MTNR1A (0.56) MTNR1AKDRAURKAMETTEK
SCHEMBL8661902 0.82 MTNR1A (0.78) MTNR1AKDRAURKAMETTEK
SCHEMBL31613069 0.82 KDR (0.67) MTNR1AKDRAURKAMETTEK
SCHEMBL15121479 0.81 PLAU (0.52) PLGKLK1
SCHEMBL3100592 0.80 MMP3 (0.62) POLB
SCHEMBL30071626 0.80 MMP3 (0.62) POLB
SCHEMBL7108784 0.80 MAOB (0.46) KDRAURKBPOLBLCK
SCHEMBL2237855 0.79 MTNR1A (0.56) MTNR1AKDRAURKAMETTEK
Hydrochloric Acid SCHEMBL7110749 0.78 MMP3 (0.61) POLB
Guanidine SCHEMBL27689978 0.78 MMP3 (0.61) POLB

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 MTNR1A 306/4885KDR 3092/4885AURKA 3891/4885

“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.