SCHEMBL22130459

SCHEMBL22130459

O=C(Nc1nnn[nH]1)[C@@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RHOA P61586 15/20 0.58
LMNA P02545 1/20 0.55
POLB P06746 1/20 0.55
HPGD P15428 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
RHOC P08134 1/20 0.54
GFER P55789 1/20 0.54

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
SCHEMBL22130452 1.00 RHOA (0.58) RHOALMNAPOLBHPGDMEN1
SCHEMBL22130453 0.94 RHOA (0.52) RHOALMNAPOLBHPGDMEN1
SCHEMBL22130461 0.94 RHOA (0.52) RHOALMNAPOLBHPGDMEN1
SCHEMBL20562068 0.83 MEN1 (0.56) RHOALMNAPOLBMEN1KMT2A
SCHEMBL20562066 0.83 MEN1 (0.56) RHOALMNAPOLBMEN1KMT2A
SCHEMBL22130454 0.83 MEN1 (0.56) RHOALMNAPOLBMEN1KMT2A
SCHEMBL22130457 0.79 L3MBTL1 (0.57) RHOALMNAMEN1KMT2A
SCHEMBL22130458 0.79 L3MBTL1 (0.57) RHOALMNAMEN1KMT2A
SCHEMBL22130456 0.79 LMNA (0.43) LMNAPOLBHPGD
SCHEMBL20562239 0.76 RBP4 (0.40) LMNAPOLBHPGD

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-10688080-B2 Compositions, methods of use, and methods of treatment UNIVERSITY OF SOUTH FLORIDA (US) 2020-06-23 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-10688080-B2 Compositions, methods of use, and methods of treatment LIPA, LCT, GAA RHOA 203/4885LMNA 338/4885POLB 228/4885

“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.