SCHEMBL17844704

SCHEMBL17844704

Nc1c(I)cc(Br)cc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.36
ADRB2 P07550 6/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
CFTR P13569 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
KIF11 P52732 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
EPRS1 P07814 1/20 0.31
AR P10275 1/20 0.30

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
SCHEMBL9955892 0.80 ADRB2 (0.42) KDM1AADRB2GLAPOLBGAA
SCHEMBL25111549 0.79 KDM1A (0.33) KDM1ACFTRCYP11B1CYP11B2EPRS1
SCHEMBL19100799 0.79 CA1 (0.33) POLBCA1CA2CA9KDM4E
SCHEMBL720822 0.78 KDM1A (0.38) KDM1AADRB2FFAR1FFAR4GLA
SCHEMBL23301654 0.77 ALDH1A1 (0.35) GLAPOLBGAATSHRCFTR
SCHEMBL1093928 0.77 KIF11 (0.37) KDM1AADRB2FFAR1FFAR4GLA
SCHEMBL18076660 0.77 CA1 (0.44) GAATSHRCA1CA2CA9
SCHEMBL15757953 0.75 CHEK1 (0.37) KDM1ATSHRCFTRKIF11CYP11B1
SCHEMBL29611781 0.75 CHEK1 (0.37) KDM1ATSHRCFTRKIF11CYP11B1
SCHEMBL20537373 0.75 KDM1A (0.36) KDM1AADRB2FFAR1FFAR4GLA

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-20170369470-A1 Cyclic Compounds and Uses Thereof Karyopharm Therapeutics Inc. 2017-12-28 US disclosed
US-20170369470-A1 Cyclic Compounds and Uses Thereof Karyopharm Therapeutics Inc. 2017-12-28 US disclosed
WO-2016100515-A1 CYCLIC COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. (US) 2016-06-23 WO disclosed
WO-2016100515-A1 CYCLIC COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. (US) 2016-06-23 WO 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-20170369470-A1 Cyclic Compounds and Uses Thereof MALT1, BCL9, BCL6 KDM1A 2102/4885ADRB2 4843/4885FFAR1 4462/4885

“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.