SCHEMBL18124591

SCHEMBL18124591

COc1cc(CNC(=O)c2cc(C(C)(C)C)nn2C)ccc1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 3/20 0.61
RAB9A P51151 1/20 0.61
LMNA P02545 2/20 0.57
HTT P42858 2/20 0.57
TSHR P16473 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.52
PPARG P37231 5/20 0.50
PPARD Q03181 4/20 0.50
PPARA Q07869 4/20 0.50
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
NR2F2 P24468 1/20 0.46
KDM4E B2RXH2 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
ALOX12 P18054 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
DGAT2 Q96PD7 1/20 0.45

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
SCHEMBL18112683 0.88 GALR3 (0.60) GALR3RAB9ALMNAHTTTSHR
SCHEMBL18112739 0.87 CNR1 (0.53) GALR3RAB9ALMNAHTTTSHR
SCHEMBL18112684 0.86 GALR3 (0.60) GALR3RAB9ALMNAHTTTSHR
SCHEMBL18112681 0.84 GALR3 (0.64) GALR3RAB9ALMNAHTTTSHR
SCHEMBL18112659 0.78 GALR3 (0.58) GALR3RAB9ALMNAHTTTSHR
SCHEMBL18124586 0.77 GALR3 (0.53) GALR3RAB9ALMNAHTTTSHR
SCHEMBL18124617 0.76 GALR3 (0.48) GALR3RAB9ALMNAHTTTSHR
SCHEMBL9166168 0.74 GALR3 (0.46) GALR3RAB9ALMNAHTTTSHR
SCHEMBL13753933 0.73 KDM4E (0.61) GALR3RAB9ALMNAHTTTSHR
SCHEMBL18124551 0.73 CTSB (0.42) GALR3RAB9ALMNAHTTTSHR

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-20180118679-A1 N-Methyl Pyrazoles Prosetta Antiviral ,Inc. 2018-05-03 US disclosed
US-20180118679-A1 N-Methyl Pyrazoles Prosetta Antiviral ,Inc. 2018-05-03 US disclosed
WO-2016161021-A1 N-METHYL PYRAZOLES Prosetta Antiviral, Inc. (US) 2016-10-06 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-20180118679-A1 N-Methyl Pyrazoles ZC3HAV1, MAVS, NNMT GALR3 4627/4885RAB9A 1718/4885LMNA 2802/4885

“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.