SCHEMBL9909213

SCHEMBL9909213

COc1ccccc1-c1ccnc2ccc(C(=O)O)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 2/20 0.46
CHUK O15111 1/20 0.46
INSR P06213 1/20 0.46
MAPK8 P45983 1/20 0.46
CAMKK2 Q96RR4 1/20 0.46
LMNA P02545 1/20 0.45
SRC P12931 1/20 0.45
TGFBR1 P36897 1/20 0.45
SCN9A Q15858 2/20 0.44
GCGR P47871 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA7 P43166 1/20 0.44
TPMT P51580 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CCNB2 O95067 1/20 0.44

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
SCHEMBL9909202 0.89 HTT (0.51) CHUKINSRMAPK8CAMKK2TGFBR1
SCHEMBL9909209 0.83 HTR5A (0.49) CHUKINSRMAPK8CAMKK2GCGR
SCHEMBL9907406 0.83 KDM4C (0.52) KDM4CTTRKDM4EMAPK1
Hydrochloric Acid SCHEMBL18109880 0.82 CA12 (0.53) KDM4CLMNASRCTGFBR1CA12
SCHEMBL9909156 0.81 SCN9A (0.49) KDM4CLMNASCN9ACCNT1CDK9
SCHEMBL9907326 0.79 PIK3CA (0.57) KDM4CCAMKK2LMNAKDM4EMAPK1
SCHEMBL16549180 0.79 MAP4K4 (0.51) KDM4CLMNASCN9ACCNB2CDK1
SCHEMBL29788322 0.77 CA12 (0.62) LMNACA12CA1CA2CA4
SCHEMBL29269603 0.77 ALDH1A1 (0.51) LMNATGFBR1SCN9ACCNB2CDK1
SCHEMBL2043219 0.77 CA12 (0.62) LMNACA12CA1CA2CA4

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-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
EP-2463276-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2012-06-13 EP disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 US disclosed
WO-2011016504-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE アステラス製薬株式会社 (JP) 2011-02-10 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-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E KDM4C 1366/4885CHUK 2224/4885INSR 1839/4885

“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.