SCHEMBL17716665

SCHEMBL17716665

OC(CF)(c1ccc(Br)c2cccnc12)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.45
▸ MEN1 O00255 6/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ APAF1 O14727 1/20 0.45
▸ TDP2 O95551 1/20 0.45
▸ CASP3 P42574 1/20 0.45
▸ SENP8 Q96LD8 1/20 0.45
▸ SENP7 Q9BQF6 1/20 0.45
▸ SENP6 Q9GZR1 1/20 0.45
▸ KDM4E B2RXH2 8/20 0.42
▸ HTT P42858 4/20 0.42
▸ TP53 P04637 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ HSP90AA1 P07900 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ SLC40A1 Q9NP59 1/20 0.36
▸ L3MBTL1 Q9Y468 3/20 0.34
▸ MPI P34949 2/20 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
SCHEMBL17711257 0.84 KMT2A (0.49) KMT2AMEN1ALDH1A1MAPTAPAF1
SCHEMBL3710953 0.80 KMT2A (0.54) KMT2AMEN1ALDH1A1MAPTAPAF1
SCHEMBL29456440 0.80 KMT2A (0.54) KMT2AMEN1ALDH1A1MAPTAPAF1
SCHEMBL17716642 0.79 KDM4E (0.40) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL28804239 0.73 KMT2A (0.54) KMT2AMEN1ALDH1A1MAPTAPAF1
SCHEMBL11891548 0.73 KMT2A (0.59) KMT2AMEN1ALDH1A1MAPTAPAF1
SCHEMBL12228310 0.72 KMT2A (0.49) KMT2AMEN1ALDH1A1MAPTAPAF1
SCHEMBL3628380 0.70 SLC40A1 (0.49) KMT2AMEN1ALDH1A1MAPTAPAF1
SCHEMBL196848 0.70 KMT2A (0.68) KMT2AMEN1ALDH1A1MAPTAPAF1
SCHEMBL15634566 0.68 KDM4E (0.56) KMT2AMEN1ALDH1A1MAPTAPAF1

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-20160122336-A1 TRIFLUOROMETHYL ALCOHOLS AS MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (US) 2016-05-05 — — 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-20160122336-A1 TRIFLUOROMETHYL ALCOHOLS AS MODULATORS OF RORyt RORC, RORA, RORB KMT2A 1096/4885MEN1 4211/4885ALDH1A1 59/4885

“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.

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