SCHEMBL237434

SCHEMBL237434

Clc1cccc(-c2ccc[nH]2)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.56
CNR1 P21554 1/20 0.54
NOTUM Q6P988 1/20 0.53
BRD4 O60885 1/20 0.49
SCN2A Q99250 1/20 0.47
HTR2C P28335 2/20 0.44
CSF1R P07333 1/20 0.44
ALOX5 P09917 1/20 0.44
NUDT1 P36639 1/20 0.44
IKBKB O14920 1/20 0.43
CHUK O15111 1/20 0.43
NPY5R Q15761 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MPI P34949 1/20 0.42
GFER P55789 1/20 0.42

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
SCHEMBL20510943 0.86 CNR1 (0.47) IDO1CNR1NOTUMCSF1R
SCHEMBL380666 0.81
Hydrochloric Acid SCHEMBL3824245 0.79 HDAC6 (0.48) IDO1CNR1NOTUMCSF1RKDM4E
SCHEMBL198093 0.77 CNR1 (0.49) IDO1CNR1SCN2ACSF1RKDM4E
SCHEMBL9227395 0.77 AHR (0.52) IDO1CNR1NOTUMNPY5RKDM4E
SCHEMBL11434632 0.77 NT5E (0.57) CNR1ALDH1A1
SCHEMBL7762234 0.77 IDO1 (0.46) IDO1CNR1NPY5R
SCHEMBL16236283 0.77 MAOA (0.50) CNR1BRD4KDM4EALDH1A1GFER
SCHEMBL7292924 0.77 IDO1 (0.46) IDO1CNR1KDM4EALDH1A1GAA
SCHEMBL28553991 0.77 METAP2 (0.46) IDO1CNR1NOTUMCSF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11939291-B2 GRP94 selective inhibitors and uses thereof UNIVERSITY OF KANSAS (US) 2024-03-26 US disclosed
US-20220024869-A1 GRP94 SELECTIVE INHIBITORS AND USES THEREOF UNIVERSITY OF KANSAS 2022-01-27 US disclosed
US-20220024869-A1 GRP94 SELECTIVE INHIBITORS AND USES THEREOF UNIVERSITY OF KANSAS 2022-01-27 US disclosed
US-10975030-B2 Grp94 selective inhibitors and uses thereof UNIVERSITY OF KANSAS (US) 2021-04-13 US disclosed
US-10975030-B2 Grp94 selective inhibitors and uses thereof UNIVERSITY OF KANSAS (US) 2021-04-13 US disclosed
US-20200071271-A1 GRP94 SELECTIVE INHIBITORS AND USES THEREOF UNIVERSITY OF SOUTH FLORIDA 2020-03-05 US disclosed
US-20200071271-A1 GRP94 SELECTIVE INHIBITORS AND USES THEREOF UNIVERSITY OF SOUTH FLORIDA 2020-03-05 US disclosed
WO-2018081814-A1 GRP94 SELECTIVE INHIBITORS AND USES THEREOF UNIVERSITY OF KANSAS (US) 2018-05-03 WO disclosed
WO-2018081814-A1 GRP94 SELECTIVE INHIBITORS AND USES THEREOF UNIVERSITY OF KANSAS (US) 2018-05-03 WO disclosed
EP-2429994-A1 BIS AROMATIC COMPOUNDS FOR USE AS LTC4 SYNTHASE INHIBITORS Biolipox AB (SE) 2012-03-21 EP disclosed
US-20120035217-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors BIOLIPOX AB (SW) 2012-02-09 US disclosed
CN-102348686-A Bis aromatic compounds for use as ltc4 synthase inhibitors BIOLIPOX AB (SE) 2012-02-08 CN disclosed
US-20120004244-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors BIOLIPOX AB (SW) 2012-01-05 US disclosed
WO-2010103283-A1 BIS AROMATIC COMPOUNDS FOR USE AS LTC4 SYNTHASE INHIBITORS BIOLIPOX AB (SE) 2010-09-16 WO disclosed
US-5378724-A Insecticide. miticide, nematocide BAYER AKTIENGESELLSCHAFT (DE) 1995-01-03 US disclosed
CN-1086513-A Substituted 2-arylpyrroles BAYER AG (DE) 1994-05-11 CN disclosed
EP-0591806-A1 Substituted 2-arylpyrroles BAYER AG (DE) 1994-04-13 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 (6 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-20120035217-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors LTC4S, LTB4R2, LTB4R IDO1 210/4885CNR1 490/4885NOTUM 1207/4885
US-20120004244-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors LTC4S, LTB4R2, LTB4R IDO1 393/4885CNR1 706/4885NOTUM 988/4885
US-20200071271-A1 GRP94 SELECTIVE INHIBITORS AND USES THEREOF GRPR, HSP90B1, HSPE1 IDO1 4602/4885CNR1 3329/4885NOTUM 4163/4885
US-11939291-B2 GRP94 selective inhibitors and uses thereof GRPR, HSP90B1, HSPE1 IDO1 4602/4885CNR1 3329/4885NOTUM 4163/4885
US-20220024869-A1 GRP94 SELECTIVE INHIBITORS AND USES THEREOF GRPR, HSP90B1, HSPE1 IDO1 4602/4885CNR1 3329/4885NOTUM 4163/4885
US-10975030-B2 Grp94 selective inhibitors and uses thereof GRPR, HSP90B1, HSPE1 IDO1 4602/4885CNR1 3329/4885NOTUM 4163/4885

“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.