SCHEMBL3559741

SCHEMBL3559741

Cc1ccc(F)nc1N1CCC(C=O)CC1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 1/20 0.34
▸ QPCTL Q9NXS2 1/20 0.34
▸ TSHR P16473 2/20 0.34
▸ GPR6 P46095 5/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ MEN1 O00255 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ GAA P10253 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ PKM P14618 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ SCD O00767 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ P2RX7 Q99572 1/20 0.31

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
SCHEMBL3436518 0.78 ALDH1A1 (0.52) TSHRALDH1A1KDM4EHTTTDP1
SCHEMBL3436760 0.78 DGAT1 (0.37) GPR6ALDH1A1KDM4EGAATDP1
SCHEMBL3558601 0.76 HSD11B1 (0.49) ALDH1A1KMT2AKDM4E
SCHEMBL10277983 0.73 ALDH1A1 (0.45) TSHRALDH1A1MEN1KMT2AKDM4E
SCHEMBL13999567 0.70 OPRK1 (0.44) —
SCHEMBL17847554 0.70 PDE10A (0.39) —
SCHEMBL3436543 0.69 KIF18A (0.35) SMN1; SMN2
SCHEMBL3436520 0.69 CYP1A2 (0.46) TSHRALDH1A1MEN1KMT2AKDM4E
SCHEMBL24195387 0.68 LRRK2 (0.44) —
SCHEMBL1814706 0.67 NOTUM (0.50) TSHRALDH1A1KDM4EGAAHTT

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-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 — — US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 — — 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 QPCT 2448/4885QPCTL 2526/4885TSHR 867/4885

“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.

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