SCHEMBL9907601

SCHEMBL9907601

Cc1ccc(-c2c(Cl)cnc3ccc(C(=O)O)cc23)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 1/20 0.47
IP6K1 Q92551 3/20 0.41
IP6K3 Q96PC2 3/20 0.41
IP6K2 Q9UHH9 3/20 0.41
POLB P06746 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 2/20 0.38
DPP4 P27487 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
TNF P01375 1/20 0.38

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
SCHEMBL9907599 0.89 HTR5A (0.58) HTR5AIP6K1IP6K3IP6K2POLB
SCHEMBL9907600 0.87 HTR5A (0.45) HTR5APOLBNPC1RAB9AKMT2A
SCHEMBL9907568 0.85 IP6K1 (0.52) HTR5AIP6K1IP6K3IP6K2POLB
SCHEMBL9909184 0.84 HTR5A (0.45) HTR5AIP6K1IP6K3IP6K2MRGPRX4
SCHEMBL9907575 0.84 HTR5A (0.47) HTR5APOLBMRGPRX4ALDH1A1HPGD
SCHEMBL9907889 0.84 HTR5A (0.69) HTR5A
SCHEMBL9907569 0.83 HTR5A (0.47) HTR5AIP6K1IP6K3IP6K2NPC1
SCHEMBL9907598 0.82 HTR5A (0.58) HTR5ARARARARBRARGTP53
SCHEMBL9907438 0.81 SRD5A2 (0.45) HTR5ANPC1RAB9AMRGPRX4ALDH1A1
SCHEMBL9907584 0.81 HTR5A (0.46) HTR5APOLBALDH1A1HPGDL3MBTL1

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-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

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 1/4885IP6K1 4169/4885IP6K3 4056/4885

“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.