SCHEMBL14844943

SCHEMBL14844943

O=C(CCCO)CC(=O)c1ccc(F)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KCNQ3 O43525 1/20 0.40
▸ KCNQ2 O43526 1/20 0.40
▸ KCNE1 P15382 1/20 0.40
▸ KCNQ1 P51787 1/20 0.40
▸ TSHR P16473 2/20 0.39
▸ TAS1R3 Q7RTX0 2/20 0.39
▸ TAS1R1 Q7RTX1 2/20 0.39
▸ TAS1R2 Q8TE23 2/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SLC2A1 P11166 1/20 0.38

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
SCHEMBL14845045 0.86 CES2 (0.47) KCNQ3KCNQ2KCNE1KCNQ1NPC1
SCHEMBL3227181 0.81 ERCC5 (0.53) SMN1; SMN2TSHRNPC1RAB9AKMT2A
SCHEMBL4712029 0.78 NPC1 (0.47) SMN1; SMN2KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL14844948 0.78 NPC1 (0.58) SMN1; SMN2TSHRNPC1RAB9AKMT2A
SCHEMBL27503767 0.77 KCNQ3 (0.44) SMN1; SMN2KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL2256181 0.76 TAS1R3 (0.49) SMN1; SMN2KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL7144096 0.74 GSK3B (0.59) SMN1; SMN2KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL23294373 0.74 MEN1 (0.50) SMN1; SMN2KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL1924889 0.74 PLOD2 (0.60) SMN1; SMN2KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL11743831 0.73 USP5 (0.49) SMN1; SMN2TSHRNPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2763993-B1 HETEROCYCLYLPYRI(MI)DINYLPYRAZOLE BAYER IP GMBH (DE) 2017-04-19 — — EP disclosed
US-9314026-B2 Heterocyclylpyri(mi)dinylpyrazole BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-04-19 — — US disclosed
US-20140364456-A1 HETEROCYCLYLPYRI(MI)DINYLPYRAZOLE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-12-11 — — US disclosed
EP-2763993-A1 HETEROCYCLYLPYRI(MI)DINYLPYRAZOLE Bayer Intellectual Property GmbH (DE) 2014-08-13 — — EP disclosed
WO-2013050434-A1 HETEROCYCLYLPYRI(MI)DINYLPYRAZOLE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-04-11 — — 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-20140364456-A1 HETEROCYCLYLPYRI(MI)DINYLPYRAZOLE H1-0, NQO2, CCNI SMN1; SMN2 3642/4885KCNQ3 406/4885KCNQ2 244/4885

“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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