SCHEMBL987880

SCHEMBL987880

N#Cc1cc(C(F)(F)F)ccc1-n1ccc2cc(Cl)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.36
P2RX2 Q9UBL9 2/20 0.36
KCNH2 Q12809 1/20 0.36
GPR35 Q9HC97 1/20 0.35
FFAR2 O15552 1/20 0.34
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AR P10275 1/20 0.33
CNR1 P21554 1/20 0.33
CYP2C9 P11712 2/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
DDR1 Q08345 1/20 0.33

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
SCHEMBL12584623 0.87 GPR35 (0.41) GPR35SMN1; SMN2CDC7BIRC5
SCHEMBL1270502 0.79 MAT2A (0.44) GPR35SMN1; SMN2CDC7BIRC5
SCHEMBL987389 0.77 GRIK1 (0.41)
SCHEMBL12643016 0.68 ALDH1A1 (0.44) TSHRSMN1; SMN2CYP3A4CDC7CDK2
SCHEMBL25334367 0.68 KCNH2 (0.36) KCNH2ARCDC7CDK2
SCHEMBL31122101 0.68 KCNH2 (0.36) KCNH2ARCDC7CDK2
SCHEMBL384969 0.66 AR (0.47) SMN1; SMN2ARPDE2A
SCHEMBL29837271 0.66 AR (0.47) SMN1; SMN2ARPDE2A
SCHEMBL28942924 0.66 PRKCI (0.44) KCNH2TSHRCDC7CDK2
SCHEMBL5660626 0.65 BIRC5 (0.51) KCNH2DDR1PDE2ACDC7CDK2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8598355-B2 Amide compound ASTELLAS PHARMA INC. (JP) 2013-12-03 US disclosed
EP-2565191-A1 4-(Indol-7-ylcarbonylaminomethyl)cyclohexanecarboxylic acid derivatives as EP4 receptor antagonists useful for the treatment of chronic renal failure or diabetic nephropathy Astellas Pharma Inc. (JP) 2013-03-06 EP disclosed
US-20110144153-A1 AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-06-16 US disclosed
US-20110144153-A1 AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-06-16 US disclosed
US-20110144153-A1 AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-06-16 US disclosed
CN-102026961-A Amide compound ASTELLAS PHARMA INC 2011-04-20 CN disclosed
EP-2277858-A1 AMIDE COMPOUND Astellas Pharma Inc. (JP) 2011-01-26 EP disclosed
WO-2009139373-A1 AMIDE COMPOUND アステラス製薬株式会社 (JP) 2009-11-19 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-20110144153-A1 AMIDE COMPOUND PTGER4, PTGER1, PTGER2 P2RX3 162/4885P2RX2 103/4885KCNH2 3210/4885

“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.