SCHEMBL9907741

SCHEMBL9907741

COc1cnc(-c2c(F)cccc2F)c2cc(C(=O)O)ccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 8/20 0.58
HTT P42858 2/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 1/20 0.49
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA7 P43166 1/20 0.42
TPMT P51580 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MRGPRX4 Q96LA9 2/20 0.42
HSP90AA1 P07900 1/20 0.42
TTR P02766 1/20 0.41
FABP4 P15090 1/20 0.41
RORC P51449 1/20 0.40
PYGL P06737 1/20 0.40

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
SCHEMBL9909272 0.88 HTR5A (0.74) HTR5AHTTLMNAMAPK1RAB9A
SCHEMBL9909268 0.85 HTR5A (0.61) HTR5AHTTLMNAMAPK1RAB9A
SCHEMBL9907523 0.84 HTR5A (0.69) HTR5AMRGPRX4TTR
SCHEMBL9907958 0.84 HTR5A (0.81) HTR5A
SCHEMBL9907642 0.84 HTR5A (0.57) HTR5ATTRRORC
SCHEMBL9907629 0.84 HTR5A (0.71) HTR5AMRGPRX4TTR
SCHEMBL9907684 0.81 HTR5A (0.53) HTR5ALMNARAB9AMRGPRX4TTR
SCHEMBL9909291 0.81 HTR5A (0.65) HTR5AHTTLMNAMAPK1RAB9A
SCHEMBL9907658 0.81 HTR5A (0.71) HTR5ATTRRORC
SCHEMBL12875044 0.81 HTR5A (0.61) HTR5AHTTLMNAMAPK1RAB9A

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 5 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
US-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 US 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 HTR5A 1/4885HTT 970/4885LMNA 4287/4885

“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.