SCHEMBL450566

SCHEMBL450566

Fc1cccc([C@@H]2CC(F)(F)C(F)(F)N2)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.41
RCOR1 Q9UKL0 1/20 0.41
CA1 P00915 1/20 0.39
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
TAAR1 Q96RJ0 1/20 0.36
IDO1 P14902 1/20 0.35
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
P2RX7 Q99572 2/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL430645 1.00 KDM1A (0.41) KDM1ARCOR1CA1HTR2AHTR2C
SCHEMBL448908 1.00 KDM1A (0.41) KDM1ARCOR1CA1HTR2AHTR2C
SCHEMBL17724399 0.77 KDM1A (0.44) KDM1ARCOR1CA1HTR2AHTR2C
SCHEMBL430807 0.73 KDM1A (0.41) KDM1ARCOR1CA1HTR2AHTR2C
SCHEMBL433347 0.73 KDM1A (0.41) KDM1ARCOR1CA1HTR2AHTR2C
SCHEMBL21523837 0.73 CHRNB2 (0.48) KDM1ARCOR1CA1HTR2AHTR2C
SCHEMBL455752 0.71 KDM1A (0.42) KDM1ARCOR1CA1HTR2AHTR2C
SCHEMBL20703377 0.71 KDM1A (0.39) KDM1ARCOR1CA1HTR2AHTR2C
SCHEMBL19909887 0.70 KDM1A (0.44) KDM1ARCOR1CA1HTR2AHTR2C
SCHEMBL456182 0.69 KDM1A (0.40) KDM1ARCOR1CA1HTR2AHTR2C

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-8637516-B2 Compounds and compositions as TRK inhibitors IRM LLC (BM) 2014-01-28 US disclosed
US-20120065184-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 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-20120065184-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS TNK2, CNKSR1, BMP2K KDM1A 1911/4885RCOR1 695/4885CA1 4740/4885

“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.