SCHEMBL9907705

SCHEMBL9907705

CCOC(=O)c1ccc2nc(C)c(Cl)c(-c3ccc(F)cc3Cl)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
TSHR P16473 2/20 0.48
HPGD P15428 3/20 0.47
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALPL P05186 1/20 0.47
GAA P10253 1/20 0.47
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 2/20 0.45
CDC7 O00311 1/20 0.45
DBF4 Q9UBU7 1/20 0.45
PDE2A O00408 2/20 0.44
PDE10A Q9Y233 1/20 0.44
SIRT2 Q8IXJ6 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
SCHEMBL9907633 0.92 ALDH1A1 (0.55) ALDH1A1L3MBTL1NPC1RAB9ACYP1A2
SCHEMBL9907545 0.92 ALDH1A1 (0.58) ALDH1A1L3MBTL1NPC1RAB9ACYP1A2
SCHEMBL12875021 0.88 ALDH1A1 (0.43) ALDH1A1L3MBTL1NPC1RAB9ACYP1A2
SCHEMBL9907736 0.87 ALDH1A1 (0.47) ALDH1A1L3MBTL1HPGDSMN1; SMN2KDM4E
SCHEMBL9907700 0.86 ALDH1A1 (0.61) ALDH1A1L3MBTL1NPC1RAB9ACYP1A2
SCHEMBL9907604 0.86 ALDH1A1 (0.61) ALDH1A1L3MBTL1NPC1RAB9ACYP1A2
SCHEMBL9907548 0.84 ALDH1A1 (0.59) ALDH1A1L3MBTL1NPC1RAB9ACYP1A2
SCHEMBL12874633 0.82 CASP3 (0.42) ALDH1A1L3MBTL1HPGDSMN1; SMN2PDE2A
SCHEMBL9907560 0.81 ALDH1A1 (0.52) ALDH1A1L3MBTL1NPC1RAB9ACYP1A2
SCHEMBL9907902 0.80 HTR5A (0.60)

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 1799/4885L3MBTL1 3654/4885NPC1 753/4885

“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.