SCHEMBL9907356

SCHEMBL9907356

COC(=O)c1ccc2ncc(C)c(-c3ccccc3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.49
NR1H3 Q13133 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPT P10636 2/20 0.48
TP53 P04637 1/20 0.48
PDE5A O76074 2/20 0.47
ABCC1 P33527 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
CREBBP Q92793 1/20 0.47
PAX8 Q06710 1/20 0.47
ALDH1A1 P00352 3/20 0.46
HTT P42858 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
PLA2G2A P14555 1/20 0.46

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
SCHEMBL9907443 0.88 PIK3CA (0.53) NR1H2NR1H3MEN1KMT2AMAPT
SCHEMBL9907360 0.87 ALDH1A1 (0.50) MEN1KMT2AMAPTTP53ALDH1A1
SCHEMBL9907499 0.86 PLA2G2A (0.48) NR1H2NR1H3MEN1KMT2AMAPT
SCHEMBL9907444 0.83 HTR5A (0.47) NR1H2NR1H3MAPTTP53CREBBP
SCHEMBL9907397 0.82 CREBBP (0.45) NR1H2NR1H3MAPTTP53CREBBP
SCHEMBL9925363 0.82 HDAC3 (0.47) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL9907380 0.81 NR1H2 (0.49) NR1H2NR1H3KMT2AMAPTTP53
SCHEMBL9907355 0.81 PAX8 (0.49) MAPTTP53CREBBPPAX8ALDH1A1
SCHEMBL9907357 0.80 MAPT (0.46) NR1H2MEN1KMT2AMAPTTP53
SCHEMBL9907354 0.80 PAX8 (0.48) MAPTTP53CREBBPPAX8ALDH1A1

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 6 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
EP-2463276-B1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2014-03-12 EP 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
WO-2011016504-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE アステラス製薬株式会社 (JP) 2011-02-10 WO 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 NR1H2 705/4885NR1H3 911/4885MEN1 3631/4885

“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.