SCHEMBL9907401

SCHEMBL9907401

Cc1cnc2ccc(C(=O)O)cc2c1-c1c(F)cccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 4/20 0.46
TTR P02766 1/20 0.44
IP6K1 Q92551 3/20 0.41
IP6K3 Q96PC2 3/20 0.41
IP6K2 Q9UHH9 3/20 0.41
CREBBP Q92793 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
MRGPRX4 Q96LA9 3/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
MAPK14 Q16539 1/20 0.38
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37

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
SCHEMBL9907361 0.90 HTR5A (0.49) HTR5AIP6K1IP6K3IP6K2CREBBP
SCHEMBL9907451 0.87 HTR5A (0.49) HTR5ACSNK2A2CSNK2BDHODH
SCHEMBL9907397 0.86 CREBBP (0.45) HTR5ACREBBPKDM4EALDH1A1PKM
SCHEMBL9907481 0.86 HTR5A (0.40) HTR5AIP6K1IP6K3IP6K2CREBBP
SCHEMBL9907814 0.83 HTR5A (0.69) HTR5A
SCHEMBL9907360 0.82 ALDH1A1 (0.50) IP6K1IP6K3IP6K2TDP1KDM4E
SCHEMBL9907385 0.82 HTR5A (0.45) HTR5AALDH1A1POLB
SCHEMBL9907450 0.82 NR4A2 (0.46) IP6K1IP6K3IP6K2TDP1KDM4E
SCHEMBL9907400 0.81 HTR5A (0.54) HTR5ADHODH
SCHEMBL9907647 0.80 TDP1 (0.51) HTR5ATTRIP6K1IP6K3IP6K2

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 5 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
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 HTR5A 1/4885TTR 3634/4885IP6K1 4169/4885

“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.