SCHEMBL7476751

SCHEMBL7476751

Fc1[c]cc(Cc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.52
LTA4H P09960 4/20 0.42
IDH1 O75874 1/20 0.41
LMNA P02545 2/20 0.39
PLA2G10 O15496 1/20 0.39
PLA2G2A P14555 1/20 0.39
SLC22A2 O15244 1/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP3 P42574 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP2C9 P11712 1/20 0.35
HNF4A P41235 1/20 0.35
BCL2 P10415 1/20 0.34

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
SCHEMBL3336875 0.89 ESR1 (0.33) CALM1
SCHEMBL27735540 0.80 TSHR (0.56) LTA4HCA1CA2CA9MAPK1
SCHEMBL7532413 0.78 CALM1 (0.52) CALM1LTA4HIDH1LMNAPLA2G10
SCHEMBL20270475 0.77 CALM1 (0.50) CALM1LTA4HIDH1LMNAPLA2G10
SCHEMBL8094422 0.75 CALM1 (0.92) CALM1LTA4HIDH1LMNAPLA2G10
SCHEMBL972712 0.75 CALM1 (0.92) CALM1LTA4HIDH1LMNAPLA2G10
SCHEMBL597605 0.75
SCHEMBL595694 0.75
SCHEMBL596854 0.75
SCHEMBL576416 0.74 CALM1 (0.67) CALM1LTA4HIDH1LMNAPLA2G10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3134079-A1 SUBSTITUTED N-(2-(AMINO)-2-OXOETHYL)BENZAMIDE INHIBITORS OF AUTOTAXIN AND THEIR PREPARATION AND USE IN THE TREATMENT OF LPA-DEPENDENT OR LPA-MEDIATED DISEASES X-RX Discovery, Inc. (US) 2017-03-01 EP claimed
US-20170037007-A1 SUBSTITUTED N-(2-(AMINO)-2OXOETHYL)BENZAMIDE INHIBITORS OF AUTOTAXIN AND THEIR PREPARATION AND USE IN THE TREATMENT OF LPA-DEPENDENT OR LPA-MEDIATED DISEASES X-RX, INC. 2017-02-09 US claimed
WO-2015175171-A1 SUBSTITUTED N-(2-(AMINO)-2-OXOETHYL)BENZAMIDE INHIBITORS OF AUTOTAXIN AND THEIR PREPARATION AND USE IN THE TREATMENT OF LPA-DEPENDENT OR LPA-MEDIATED DISEASES X-RX DISCOVERY, INC. (US) 2015-11-19 WO claimed
EP-0825993-A1 XANTHINES AND THEIR THERAPEUTIC USE Chiroscience Limited (GB) 1998-03-04 EP claimed
WO-1996036638-A1 XANTHINES AND THEIR THERAPEUTIC USE CHIROSCIENCE LIMITED (GB) 1996-11-21 WO claimed
CN-114007671-A Methods and compositions for treating chronic inflammatory injury, metaplasia, dysplasia and cancer of epithelial tissue 休斯敦大学体系 2022-02-01 CN disclosed
CN-107207532-B Nitroimidazole derivatives against tuberculosis 南京明德新药研发股份有限公司 2019-07-30 CN disclosed
CN-107207532-A Nitroimidazole derivatives against tuberculosis 南京明德新药研发股份有限公司 2017-09-26 CN disclosed
EP-3134079-A1 SUBSTITUTED N-(2-(AMINO)-2-OXOETHYL)BENZAMIDE INHIBITORS OF AUTOTAXIN AND THEIR PREPARATION AND USE IN THE TREATMENT OF LPA-DEPENDENT OR LPA-MEDIATED DISEASES X-RX Discovery, Inc. (US) 2017-03-01 EP disclosed
US-20170037007-A1 SUBSTITUTED N-(2-(AMINO)-2OXOETHYL)BENZAMIDE INHIBITORS OF AUTOTAXIN AND THEIR PREPARATION AND USE IN THE TREATMENT OF LPA-DEPENDENT OR LPA-MEDIATED DISEASES X-RX, INC. 2017-02-09 US disclosed
WO-2015175171-A1 SUBSTITUTED N-(2-(AMINO)-2-OXOETHYL)BENZAMIDE INHIBITORS OF AUTOTAXIN AND THEIR PREPARATION AND USE IN THE TREATMENT OF LPA-DEPENDENT OR LPA-MEDIATED DISEASES X-RX DISCOVERY, INC. (US) 2015-11-19 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-20170037007-A1 SUBSTITUTED N-(2-(AMINO)-2OXOETHYL)BENZAMIDE INHIBITORS OF AUTOTAXIN AND THEIR PREPARATION AND USE IN THE TREATMENT OF LPA-DEPENDENT OR LPA-MEDIATED DISEASES ENPP2, LPAR2, LPCAT3 CALM1 4484/4885LTA4H 26/4885IDH1 3888/4885

“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.