SCHEMBL12366371

SCHEMBL12366371

NC(N)=NC(=O)c1ccc2c(c1)C(c1ccc(C(F)(F)F)cc1)=CCO2

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 8/20 0.42
▸ PLAU P00749 2/20 0.41
▸ HTR2B P41595 6/20 0.39
▸ HTR7 P34969 5/20 0.39
▸ ADRA1D P25100 2/20 0.39
▸ HTR2A P28223 2/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ ADRA1B P35368 1/20 0.39
▸ CYP2C9 P11712 3/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ SLC9A2 Q9UBY0 1/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ RARA P10276 1/20 0.36
▸ RARB P10826 1/20 0.36
▸ RARG P13631 1/20 0.36

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
SCHEMBL12390049 0.89 SLC9A1 (0.49) SLC9A1HTR2BHTR7ADRA1DHTR2A
SCHEMBL2259569 0.88 SLC9A1 (0.41) SLC9A1HTR2BHTR7ADRA1DHTR2A
SCHEMBL12366388 0.86 HTR2B (0.40) SLC9A1HTR2BHTR7ADRA1DHTR2A
SCHEMBL12366517 0.86 HTR7 (0.39) SLC9A1HTR2BHTR7ADRA1DHTR2A
SCHEMBL12389267 0.86 SLC9A1 (0.43) SLC9A1HTR2BHTR7ADRA1DHTR2A
SCHEMBL12366474 0.86 SLC9A1 (0.39) SLC9A1HTR2BHTR7ADRA1DHTR2A
SCHEMBL12366451 0.85 HTR2B (0.39) SLC9A1HTR2BHTR7ADRA1DHTR2A
SCHEMBL12366373 0.85 HTR2B (0.45) SLC9A1HTR2BHTR7ADRA1DHTR2A
SCHEMBL12366354 0.85 HTR2B (0.44) SLC9A1HTR2BHTR7ADRA1DHTR2A
SCHEMBL12366341 0.85 SLC9A1 (0.41) SLC9A1HTR2BHTR7ADRA1DHTR2A

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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 — — US disclosed
US-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 — — 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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E SLC9A1 1693/4885PLAU 3632/4885HTR2B 7/4885

“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.

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