SCHEMBL18059491

SCHEMBL18059491

COc1ccc([C@@H]2C[C@@]2(C)NCCOC[C@H](NC(=O)c2ccc(C(F)(F)F)cc2)C(=O)N2CCCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 7/20 0.39
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
KMT2A Q03164 2/20 0.37
ALOX15 P16050 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MTTP P55157 2/20 0.37
PRKAB2 O43741 3/20 0.37
PRKAG1 P54619 3/20 0.37
PRKAA2 P54646 3/20 0.37
PRKAA1 Q13131 3/20 0.37
PRKAG3 Q9UGI9 3/20 0.37
PRKAG2 Q9UGJ0 3/20 0.37
PRKAB1 Q9Y478 3/20 0.37
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX5 P09917 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL19466139 1.00 KDM1A (0.39) KDM1ATP53THRBKMT2AALOX15
SCHEMBL18059507 0.92 KDM1A (0.46) KDM1AKMT2A
SCHEMBL18848608 0.92 KDM1A (0.46) KDM1AKMT2A
SCHEMBL18059520 0.89 KDM1A (0.49) KDM1AKMT2AALOX15HTTSMN1; SMN2
SCHEMBL18848473 0.89 KDM1A (0.49) KDM1AKMT2AALOX15HTTSMN1; SMN2
SCHEMBL18848438 0.88 KDM1A (0.44) KDM1AKMT2AALOX15HTTSMN1; SMN2
SCHEMBL18059490 0.88 KDM1A (0.44) KDM1AKMT2AALOX15HTTSMN1; SMN2
SCHEMBL18848753 0.80 KDM1A (0.52) KDM1A
SCHEMBL18059481 0.80 KDM1A (0.52) KDM1A
SCHEMBL18848713 0.79 UGCG (0.35) KDM1AKMT2AMTTPMEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10882835-B2 KDM1A inhibitors for the treatment of disease IMAGO BIOSCIENCES, INC. (US) 2021-01-05 US disclosed
US-20170334873-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE IMAGO BIOSCIENCES, INC. 2017-11-23 US disclosed
US-9790195-B2 KDM1A inhibitors for the treatment of disease IMAGO BIOSCIENCES, INC. (US) 2017-10-17 US disclosed
US-20160257662-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE IMAGO BIOSCIENCES, INC. 2016-09-08 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 (3 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-20170334873-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE KDM1B, KDM1A, KDM2A KDM1A 2/4885TP53 524/4885THRB 2389/4885
US-10882835-B2 KDM1A inhibitors for the treatment of disease KDM1B, KDM1A, KDM2A KDM1A 2/4885TP53 524/4885THRB 2389/4885
US-20160257662-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE KDM1B, KDM1A, KDM2A KDM1A 2/4885TP53 601/4885THRB 2624/4885

“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.