SCHEMBL9907647

SCHEMBL9907647

Cc1nc2ccc(C(=O)O)cc2c(-c2c(F)cccc2F)c1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.51
HTR5A P47898 1/20 0.47
TTR P02766 1/20 0.45
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
POLB P06746 3/20 0.43
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HTT P42858 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
USP2 O75604 1/20 0.43
APOBEC3A P31941 1/20 0.43
YWHAG P61981 1/20 0.43
HSD17B10 Q99714 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
IP6K1 Q92551 3/20 0.41
IP6K3 Q96PC2 3/20 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
SCHEMBL9907615 0.89 HTR5A (0.59) TDP1HTR5ATTRALDH1A1HPGD
SCHEMBL9907655 0.87 LMNA (0.54) TDP1HTR5AALDH1A1HPGDPOLB
SCHEMBL12874532 0.86 HTR5A (0.42) TDP1HTR5ATTRKDM4EMEN1
SCHEMBL9907643 0.85 ALDH1A1 (0.55) HTR5AALDH1A1HPGDKDM4EMEN1
SCHEMBL9907905 0.84 HTR5A (0.69) HTR5A
SCHEMBL9907657 0.83 HTR5A (0.56) TDP1HTR5ATTRALDH1A1HPGD
SCHEMBL9907631 0.81 HTR5A (0.51) TDP1HTR5ATTRALDH1A1HPGD
SCHEMBL9907401 0.80 HTR5A (0.46) TDP1HTR5ATTRALDH1A1POLB
SCHEMBL12874499 0.79 HTR5A (0.52) HTR5ASMN1; SMN2LMNACASP3
SCHEMBL9909173 0.79 HTR5A (0.49) TDP1HTR5ATTRALDH1A1HPGD

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 TDP1 964/4885HTR5A 1/4885TTR 3634/4885

“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.