SCHEMBL896314

SCHEMBL896314

O=C(Nc1ccc(Cl)nc1)Oc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 7/20 0.64
KCNQ2 O43526 7/20 0.64
KCNE1 P15382 4/20 0.64
KCNQ1 P51787 4/20 0.64
ALDH1A1 P00352 6/20 0.58
MAPT P10636 3/20 0.58
RAD51 Q06609 1/20 0.56
POLB P06746 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
KDM4E B2RXH2 2/20 0.54
THRB P10828 1/20 0.54
GFER P55789 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
GAA P10253 2/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
FAAH O00519 4/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL24756051 0.86 ALDH1A1 (0.55) KCNQ3KCNQ2KCNE1KCNQ1ALDH1A1
SCHEMBL31728525 0.83 ALDH1A1 (0.56) ALDH1A1MAPTRAD51POLBMEN1
SCHEMBL29644563 0.83 ALDH1A1 (0.60) ALDH1A1MAPTRAD51POLBMEN1
SCHEMBL1010493 0.83 ALDH1A1 (0.56) ALDH1A1MAPTRAD51POLBMEN1
SCHEMBL896599 0.83 ALDH1A1 (0.56) ALDH1A1MAPTRAD51POLBMEN1
SCHEMBL1013306 0.83 ALDH1A1 (0.60) ALDH1A1MAPTRAD51POLBMEN1
SCHEMBL13099965 0.82 KCNQ3 (0.49) KCNQ3KCNQ2KCNE1KCNQ1MAPT
Hydrochloric Acid SCHEMBL31090358 0.82 ALDH1A1 (0.59) ALDH1A1MAPTRAD51POLBMEN1
Hydrochloric Acid SCHEMBL29644534 0.82 ALDH1A1 (0.59) ALDH1A1MAPTRAD51POLBMEN1
SCHEMBL29739269 0.82 PTPN2 (0.57) ALDH1A1MAPTRAD51MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120083476-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
US-20120083476-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
US-20120083476-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
WO-2010141817-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO disclosed
EP-0508469-B1 3,4,N-Trisubstituted-4,5-dihydro-1H-pyrazole-1-carboxamides and their use as insecticides DOWELANCO (US) 1999-03-03 EP disclosed
US-5493024-A 1,2-DIARYL-2-PROPEN-1-ONE CHEMICAL INTERMEDIATE COMPOUND DOWELANCO (US) 1996-02-20 US disclosed
US-5250532-A Moths. termites DOWELANCO (US) 1993-10-05 US disclosed
CN-1067426-A 3,4, N-three replaces-4,5-dihydro-1 h-pyrazole-1-methane amide and they application as sterilant DOWELANCO (US) 1992-12-30 CN disclosed
EP-0508469-A1 3,4,N-Trisubstituted-4,5-dihydro-1H-pyrazole-1-carboxamides and their use as insecticides DOWELANCO (US) 1992-10-14 EP disclosed
EP-0168005-B1 SEMICARBAZIDE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-04-18 EP disclosed
US-4694004-A ANALGESICS; ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-09-15 US disclosed
EP-0168005-A2 Semicarbazide derivatives, processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-01-15 EP 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-20120083476-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, DBH KCNQ3 3660/4885KCNQ2 3493/4885KCNE1 4096/4885

“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.