SCHEMBL9907700

SCHEMBL9907700

CCOC(=O)c1ccc2nc(C)c(Cl)c(-c3ccccc3Cl)c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
PDE2A O00408 3/20 0.58
PDE10A Q9Y233 1/20 0.58
RAB9A P51151 4/20 0.56
NPC1 O15118 2/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
KDM4E B2RXH2 3/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
HCRTR1 O43613 1/20 0.44
TP53 P04637 1/20 0.43
TSHR P16473 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
SCHEMBL9907624 0.91 ALDH1A1 (0.58) ALDH1A1L3MBTL1PDE2APDE10ARAB9A
SCHEMBL9907548 0.89 ALDH1A1 (0.59) ALDH1A1L3MBTL1PDE2APDE10ARAB9A
SCHEMBL9907705 0.86 ALDH1A1 (0.58) ALDH1A1L3MBTL1PDE2APDE10ARAB9A
SCHEMBL9907721 0.86 ALDH1A1 (0.50) ALDH1A1L3MBTL1PDE2APDE10ARAB9A
SCHEMBL9107164 0.82 ALDH1A1 (0.79) ALDH1A1L3MBTL1PDE2APDE10ARAB9A
SCHEMBL9907545 0.82 ALDH1A1 (0.58) ALDH1A1L3MBTL1PDE2APDE10ARAB9A
SCHEMBL15500555 0.81 ESR2 (0.40) ALDH1A1L3MBTL1PDE2APDE10ACYP1A2
SCHEMBL9907604 0.80 ALDH1A1 (0.61) ALDH1A1L3MBTL1PDE2ARAB9ANPC1
SCHEMBL3321046 0.80 FABP3 (0.56) ALDH1A1L3MBTL1PDE2APDE10ARAB9A
SCHEMBL9108374 0.80 ALDH1A1 (0.71) ALDH1A1L3MBTL1PDE2APDE10ARAB9A

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 3654/4885PDE2A 127/4885

“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.