SCHEMBL1170095

SCHEMBL1170095

Clc1c2ccccc2nn1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 2/20 0.50
CYP1A2 P05177 1/20 0.50
PTGER4 P35408 6/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SLC9A1 P19634 1/20 0.47
GRM2 Q14416 1/20 0.47
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
CNR1 P21554 1/20 0.44
ACHE P22303 1/20 0.44
CNR2 P34972 1/20 0.44
ESR2 Q92731 1/20 0.44
ESR1 P03372 1/20 0.42
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
CYP19A1 P11511 1/20 0.41
IDO1 P14902 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL1170105 0.81 CYP1A2 (0.50) SCN8ACYP1A2PTGER4MEN1KMT2A
SCHEMBL844215 0.81 ESR2 (0.46) SCN8ACYP1A2PTGER4KMT2AESR2
SCHEMBL25247023 0.80 SCN8A (0.49) SCN8ACYP1A2PTGER4SLC9A1GRM2
Hydrochloric Acid SCHEMBL845090 0.79 ESR2 (0.45) SCN8ACYP1A2PTGER4KMT2AESR2
SCHEMBL845240 0.79 ESR2 (0.49) SCN8ACYP1A2PTGER4MEN1KMT2A
SCHEMBL25153638 0.79 MPO (0.45) CYP1A2PTGER4MEN1KMT2ASLC9A1
SCHEMBL23229321 0.76 ATM (0.58) MEN1KMT2AALDH1A1ESR2ESR1
SCHEMBL18096451 0.76 PTGER4 (0.47) SCN8ACYP1A2PTGER4MEN1KMT2A
SCHEMBL4494497 0.74 ALDH1A1 (0.53) SCN8ACYP1A2PTGER4MEN1KMT2A
SCHEMBL11394219 0.73 MPO (0.42) SCN8ACYP1A2PTGER4SLC9A1GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8519186-B2 Process for the preparation of indazolyl ureas that inhibit Vanilloid subtype 1 (VR1) receptors ABBVIE INC. (US) 2013-08-27 US disclosed
EP-2012779-B1 PROCESS FOR THE PREPARATION OF INDAZOLYL UREAS THAT INHIBIT VANILLOID SUBTYPE 1 (VR1) RECEPTORS ABBOTT LAB (US) 2012-05-16 EP disclosed
US-20110040102-A1 PROCESS FOR THE PREPARATION OF INDAZOLYL UREAS THAT INHIBIT VANILLOID SUBTYPE 1 (VR1) RECEPTORS ABBOTT LABORATORIES (US) 2011-02-17 US disclosed
US-7847104-B2 Process for the preparation of indazolyl ureas that inhibit Vanilloid subtype1 (VR1) receptors ABBOTT LABORATORIES (US) 2010-12-07 US disclosed
EP-2012779-A2 PROCESS FOR THE PREPARATION OF INDAZOLYL UREAS THAT INHIBIT VANILLOID SUBTYPE 1 (VR1) RECEPTORS Abbott Laboratories (US) 2009-01-14 EP disclosed
WO-2007121339-A2 PROCESS FOR THE PREPARATION OF INDAZOLYL UREAS THAT INHIBIT VANILLOID SUBTYPE 1 (VR1) RECEPTORS ABBOTT LABORATORIES (US) 2007-10-25 WO disclosed
US-20070244178-A1 Process for the Preparation of Indazolyl Ureas that Inhibit Vanilloid Subtype1 (VR1) Receptors ABBVIE INC. 2007-10-18 US disclosed
US-4264618-A Basic thio-indazoles AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 1981-04-28 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 (2 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-20070244178-A1 Process for the Preparation of Indazolyl Ureas that Inhibit Vanilloid Subtype1 (VR1) Receptors UTS2R, VIPR1, VRK1 SCN8A 437/4885CYP1A2 805/4885PTGER4 877/4885
US-20110040102-A1 PROCESS FOR THE PREPARATION OF INDAZOLYL UREAS THAT INHIBIT VANILLOID SUBTYPE 1 (VR1) RECEPTORS UTS2R, VIPR1, VRK1 SCN8A 410/4885CYP1A2 822/4885PTGER4 841/4885

“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.