SCHEMBL9907607

SCHEMBL9907607

Cc1nc2ccc(C(=O)O)cc2c(-c2ccc(F)cc2)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
HPGD P15428 3/20 0.50
POLB P06746 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
TDP1 Q9NUW8 2/20 0.49
NR4A2 P43354 1/20 0.48
FABP3 P05413 1/20 0.47
FABP4 P15090 1/20 0.47
DHODH Q02127 1/20 0.44
BCL2L1 Q07817 1/20 0.44
BAD Q92934 1/20 0.44
DPP4 P27487 1/20 0.43
HTR5A P47898 1/20 0.43
KDM4E B2RXH2 4/20 0.43
CHEK2 O96017 1/20 0.43
CSNK2A2 P19784 1/20 0.43
CSNK2B P67870 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
CDH1 P12830 1/20 0.43

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
SCHEMBL9907620 0.87 HTR5A (0.53) ALDH1A1HPGDPOLBL3MBTL1TDP1
SCHEMBL9907604 0.86 ALDH1A1 (0.61) ALDH1A1HPGDL3MBTL1KDM4EGAA
SCHEMBL9907893 0.85 HTR5A (0.64) FABP3FABP4HTR5A
SCHEMBL9907553 0.84 HTR5A (0.48) ALDH1A1HPGDPOLBL3MBTL1TDP1
SCHEMBL9907736 0.84 ALDH1A1 (0.47) ALDH1A1HPGDPOLBL3MBTL1TDP1
SCHEMBL9907551 0.80 LMNA (0.57) ALDH1A1HPGDPOLBL3MBTL1TDP1
SCHEMBL9907450 0.78 NR4A2 (0.46) ALDH1A1HPGDPOLBTDP1NR4A2
SCHEMBL9907500 0.78 HTR5A (0.52) ALDH1A1NR4A2DHODHBCL2L1BAD
SCHEMBL9907721 0.77 ALDH1A1 (0.50) ALDH1A1HPGDPOLBL3MBTL1TDP1
SCHEMBL10659362 0.77 FABP4 (0.79) ALDH1A1FABP3FABP4DHODHKDM4E

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
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

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 ALDH1A1 1799/4885HPGD 1267/4885POLB 4245/4885

“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.