SCHEMBL18935992

SCHEMBL18935992

Nc1c(Br)ccc(C(F)(F)F)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.38
EPAS1 Q99814 1/20 0.36
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
KIF11 P52732 1/20 0.32
NOTUM Q6P988 3/20 0.32
PTGER4 P35408 1/20 0.31
PIK3CD O00329 1/20 0.31
ENPP3 O14638 1/20 0.31
ENPP1 P22413 1/20 0.31
IDO1 P14902 2/20 0.31
TMPRSS4 Q9NRS4 1/20 0.31
ADRB2 P07550 2/20 0.30
RORB Q92753 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
SCHEMBL30448114 0.82 P2RX7 (0.38) P2RX7EPAS1GLAPOLBGAA
SCHEMBL18980143 0.80 GLA (0.37) GLAPOLBGAATSHRKIF11
SCHEMBL374673 0.78 IDO1 (0.39) P2RX7EPAS1GLAPOLBGAA
SCHEMBL28083061 0.78 GLA (0.35) GLAPOLBGAATSHRKIF11
SCHEMBL16593769 0.77 P2RX7 (0.35) P2RX7EPAS1GLAPOLBGAA
SCHEMBL437464 0.77 KIF11 (0.37) GLAPOLBGAATSHRKIF11
SCHEMBL27895332 0.77 KIF11 (0.41) P2RX7EPAS1GLAPOLBGAA
SCHEMBL23674368 0.75 NOTUM (0.35) GLAPOLBGAATSHRKIF11
SCHEMBL669761 0.75 P2RX7 (0.42) P2RX7EPAS1NOTUMENPP3ENPP1
SCHEMBL669762 0.75 P2RX7 (0.42) P2RX7EPAS1NOTUMENPP3ENPP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170298081-A1 CONDENSED HETEROCYCLIC COMPOUND KASUMA PARTNERS INC. (JP) 2017-10-19 US disclosed
US-20170298081-A1 CONDENSED HETEROCYCLIC COMPOUND KASUMA PARTNERS INC. (JP) 2017-10-19 US disclosed
EP-3178810-A1 CONDENSED HETEROCYCLIC COMPOUND Kasuma Partners Inc. (JP) 2017-06-14 EP disclosed
CN-102311401-A CETP INHIBITORS MERCK & CO INC 2012-01-11 CN disclosed
CN-102304096-A CETP inhibitors MERCK SHARP & DOHME 2012-01-04 CN disclosed
CN-1980904-A CETP inhibitors MERCK & CO INC (US) 2007-06-13 CN disclosed
CN-1027341-C N-Phenylpyrazole Derivative Insecticides MAY & BAKER LTD (FR) 1995-01-11 CN disclosed
CN-88103601-A N-PHENYLPYRAZOLE DERIVATIVES 1988-12-28 CN disclosed
CN-86106734-A ARYL PYRIDONES 1987-04-01 CN 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-20170298081-A1 CONDENSED HETEROCYCLIC COMPOUND APOB, NPC1, NPC1L1 P2RX7 4779/4885EPAS1 2809/4885GLA 450/4885

“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.