SCHEMBL178902

SCHEMBL178902

COc1ccccc1CNC[C@@H](O)c1cc(C(F)(F)F)ccc1C(F)(F)F

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MITF O75030 1/20 0.44
DNM1 Q05193 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL178898 0.87 MEN1 (0.52) MEN1KMT2ALMNANPSR1ALDH1A1
SCHEMBL178899 0.82 MEN1 (0.56) MEN1KMT2ALMNANPSR1ALDH1A1
SCHEMBL178901 0.82 MEN1 (0.56) MEN1KMT2ALMNANPSR1ALDH1A1
SCHEMBL178870 0.82 MEN1 (0.55) MEN1KMT2ARXFP1GAAMAPT
SCHEMBL178869 0.82 MEN1 (0.55) MEN1KMT2ARXFP1GAAMAPT
SCHEMBL27633641 0.72 MEN1 (0.69) MEN1KMT2ALMNANPSR1ALDH1A1
SCHEMBL10070262 0.71 MEN1 (0.53) MEN1KMT2A
SCHEMBL11102216 0.71 MEN1 (0.59) MEN1KMT2ALMNANPSR1ALDH1A1
SCHEMBL27312392 0.71 TACR1 (0.60) MEN1KMT2AALDH1A1KDM4E
SCHEMBL115973 0.70 PNMT (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058133-A1 INHIBITION OF TRNA SYNTHETASES AND THERAPEUTIC APPLICATIONS THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-03-08 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-20120058133-A1 INHIBITION OF TRNA SYNTHETASES AND THERAPEUTIC APPLICATIONS THEREOF AARS1, GARS1, TRMT1 MEN1 4664/4885KMT2A 2778/4885LMNA 4460/4885

“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.