SCHEMBL9907345

SCHEMBL9907345

[C-]#[N+]c1ccccc1-c1ccnc2ccc(C(=O)O)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 4/20 0.41
IP6K1 Q92551 3/20 0.39
IP6K3 Q96PC2 3/20 0.39
IP6K2 Q9UHH9 3/20 0.39
ALDH1A1 P00352 3/20 0.39
TP53 P04637 2/20 0.39
HSD17B10 Q99714 1/20 0.39
RAB9A P51151 5/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 3/20 0.39
MAPT P10636 3/20 0.39
GAA P10253 2/20 0.39
MAPK1 P28482 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KDM4E B2RXH2 3/20 0.38
KDM6B O15054 2/20 0.38
KDM4A O75164 2/20 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
SCHEMBL9907341 0.85 HTT (0.48) KDM4CALDH1A1TP53RAB9AMEN1
SCHEMBL9907794 0.83 HTR5A (0.45) PLAU
SCHEMBL9907406 0.80 KDM4C (0.52) KDM4CIP6K1IP6K3IP6K2ALDH1A1
SCHEMBL9907326 0.79 PIK3CA (0.57) KDM4CIP6K1IP6K3IP6K2ALDH1A1
SCHEMBL9907384 0.79 PLAU (0.46) KDM4CALDH1A1RAB9AMEN1KMT2A
SCHEMBL9907402 0.78 PIK3CA (0.44) KDM4CIP6K1IP6K3IP6K2ALDH1A1
SCHEMBL9909203 0.77 ALDH1A1 (0.41) KDM4CIP6K1IP6K3IP6K2ALDH1A1
SCHEMBL9909213 0.77 KDM4C (0.46) KDM4CMAPK1KDM4ECAMKK2TTR
SCHEMBL9907407 0.77 CYP19A1 (0.38) KDM4CIP6K1IP6K3IP6K2ALDH1A1
SCHEMBL9907343 0.75 DOT1L (0.42) KDM4CALDH1A1RAB9ANPC1TTR

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 KDM4C 1366/4885IP6K1 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.