SCHEMBL9909239

SCHEMBL9909239

COc1ncccc1-c1c(Cl)cnc2ccc(C(=O)O)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.43
HTR5A P47898 1/20 0.41
HDAC6 Q9UBN7 2/20 0.41
EIF4E P06730 1/20 0.40
IP6K1 Q92551 2/20 0.39
IP6K3 Q96PC2 2/20 0.39
IP6K2 Q9UHH9 2/20 0.39
PPARG P37231 1/20 0.38
PLG P00747 1/20 0.38
PLAU P00749 1/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
NAMPT P43490 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
SCHEMBL9909181 0.90 ALOX15 (0.48) DHODHHTR5AHDAC6RAB9AKDM4E
SCHEMBL9909236 0.86 HTR5A (0.61) HTR5A
SCHEMBL9907584 0.85 HTR5A (0.46) DHODHHTR5AHDAC6EIF4EALDH1A1
SCHEMBL16509471 0.84 EIF4E (0.46) DHODHHDAC6EIF4EPPARGPLAU
SCHEMBL9907569 0.81 HTR5A (0.47) HTR5AIP6K1IP6K3IP6K2RAB9A
SCHEMBL9909184 0.80 HTR5A (0.45) HTR5AIP6K1IP6K3IP6K2PLG
SCHEMBL9909170 0.79 TTR (0.47) HTR5APLGPLAURAB9ANPC1
SCHEMBL9907494 0.78 HTR5A (0.55) HTR5AHDAC6
SCHEMBL9907581 0.78 ALOX15 (0.49) HTR5AKDM4EALDH1A1MAPTCREBBP
SCHEMBL9909270 0.77 HTR5A (0.55) HTR5AIP6K1IP6K3IP6K2RAB9A

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 3 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
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 DHODH 3018/4885HTR5A 1/4885HDAC6 106/4885

“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.