SCHEMBL17034855

SCHEMBL17034855

COCOc1ccc(Cl)cc1C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
LMNA P02545 2/20 0.39
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
THRB P10828 1/20 0.37
RORC P51449 1/20 0.37
LPAR1 Q92633 3/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 1/20 0.36
S1PR4 O95977 1/20 0.36
KDM1A O60341 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
PTGER1 P34995 1/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
ENPP2 Q13822 1/20 0.35

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
SCHEMBL11890402 0.84 GAA (0.52) GAAGABRA1GABRB1HPGDTSHR
SCHEMBL278545 0.81 KDM1A (0.54) GAAGABRA1GABRB1THRBKDM1A
SCHEMBL24133302 0.81 LMNA (0.40) LMNASMN1; SMN2HPGDMAPTALDH1A1
SCHEMBL84489 0.80 LPAR1 (0.50) GAAGABRA1GABRB1SMN1; SMN2THRB
SCHEMBL19617651 0.79 GABRA1 (0.37) GAALMNAGABRA1GABRB1SMN1; SMN2
SCHEMBL282475 0.79 ALDH1A1 (0.47) LMNAGABRA1GABRB1SMN1; SMN2LPAR1
SCHEMBL27645331 0.79 GAA (0.45) GAALMNATSHRCYP1A2MAPT
SCHEMBL29970124 0.79 GABRA1 (0.37) GAALMNAGABRA1GABRB1SMN1; SMN2
SCHEMBL12356963 0.79 MAPT (0.48) GAAHPGDTSHRS1PR4CYP1A2
SCHEMBL18751308 0.79 P2RX3 (0.38) GAALMNAGABRA1GABRB1SMN1; SMN2

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-20170107207-A1 AMINOPYRAZOLONE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-04-20 US disclosed
WO-2015125786-A1 AMINOPYRAZOLONE DERIVATIVE 第一三共株式会社 2015-08-27 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-20170107207-A1 AMINOPYRAZOLONE DERIVATIVE ATAD5, ATP1A1, TIPRL GAA 2530/4885LMNA 4165/4885GABRA1 2708/4885

“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.