SCHEMBL2482662

SCHEMBL2482662

NC(N)=NC(=O)c1ccc2c3ccccc3n(CCO)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2B P41595 6/20 0.49
▸ HTR7 P34969 5/20 0.49
▸ KDM4E B2RXH2 1/20 0.48
▸ PARP1 P09874 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ SLC9A1 P19634 3/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ FABP4 P15090 2/20 0.42
▸ FABP5 Q01469 2/20 0.42
▸ FABP3 P05413 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ ADRA1D P25100 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ ADRA1B P35368 1/20 0.41

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
SCHEMBL13011760 0.90 HTR2B (0.49) HTR2BHTR7KDM4EPARP1SLC9A1
SCHEMBL13011755 0.89 HPGD (0.57) HTR2BHTR7KDM4ESLC9A1ALDH1A1
SCHEMBL13011754 0.86 NPC1 (0.55) ALDH1A1HPGDNPC1
SCHEMBL13061931 0.85 CNR2 (0.46) HTR2BHTR7KDM4EPOLBSLC9A1
SCHEMBL13011761 0.84 CNR2 (0.50) HTR2BHTR7KDM4EPOLB
SCHEMBL3767125 0.84 CYP19A1 (0.53) HTR2BHTR7KDM4EMAPTSLC9A1
SCHEMBL13011627 0.83 PPARG (0.45) HTR2BHTR7KDM4EMAPTALDH1A1
SCHEMBL13011800 0.83 HIF1A (0.49) HTR2BHTR7KDM4EPOLBMAPT
SCHEMBL13061930 0.83 CNR2 (0.54) HTR2BHTR7KDM4EPARP1ALDH1A1
SCHEMBL13011809 0.83 CNR1 (0.48) HTR2BHTR7ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076348-B2 Acylguanidine derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-12-13 — — US disclosed
EP-1923387-B1 ACYLGUANIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2011-10-19 — — EP disclosed
US-20100324017-A1 ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-12-23 — — US disclosed
US-20100168096-A1 ACYLGUANIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-07-01 — — US disclosed
EP-2119704-A1 ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2009-11-18 — — EP disclosed
EP-1923387-A1 ACYLGUANIDINE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-05-21 — — EP 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 (2 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-20100324017-A1 ACYLGUANIDINE DERIVATIVE HTR5A, GRM5, HTR1E HTR2B 7/4885HTR7 17/4885KDM4E 731/4885
US-20100168096-A1 ACYLGUANIDINE DERIVATIVE OR SALT THEREOF HTR2B, HTR7, HTR3B HTR2B 1/4885HTR7 2/4885KDM4E 3089/4885

“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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