SCHEMBL1601726

SCHEMBL1601726

Oc1ccc(Cc2ccccc2)cn1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.50
IDH1 O75874 1/20 0.48
CYP11B1 P15538 4/20 0.47
CYP11B2 P19099 4/20 0.47
LTA4H P09960 1/20 0.43
PLA2G10 O15496 1/20 0.42
PLA2G2A P14555 1/20 0.42
LMNA P02545 1/20 0.42
BCL2 P10415 1/20 0.42
BCL2L1 Q07817 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
HNF4A P41235 1/20 0.42
SLC22A2 O15244 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
TBXAS1 P24557 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
SCHEMBL152940 0.82 L3MBTL1 (0.41) CYP11B1CYP11B2ALDH1A1HPGDTAAR1
SCHEMBL5109315 0.76 CALM1 (0.46) CALM1IDH1CYP11B1CYP11B2LTA4H
SCHEMBL1564270 0.75 PLA2G7 (0.50) CALM1CYP11B1CYP11B2LTA4H
SCHEMBL1191064 0.75 GABRP (0.53) CALM1CYP11B1CYP11B2LTA4HPLA2G10
SCHEMBL7784836 0.75 L3MBTL1 (0.55) CALM1CYP11B1CYP11B2ALDH1A1
SCHEMBL6434986 0.75 P4HTM (0.62) PLA2G10PLA2G2ALMNAALDH1A1HNF4A
SCHEMBL10932632 0.75 CALM1 (0.44) CALM1IDH1CYP11B1CYP11B2LTA4H
Diphenylmethane SCHEMBL10394702 0.74 CALM1 (0.92) CALM1IDH1LTA4HPLA2G10PLA2G2A
SCHEMBL972712 0.74 CALM1 (0.92) CALM1IDH1LTA4HPLA2G10PLA2G2A
SCHEMBL8094422 0.74 CALM1 (0.92) CALM1IDH1LTA4HPLA2G10PLA2G2A

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150225399-A1 HIV INTEGRASE INHIBITORS VIIV HEALTHCARE CO (US) 2015-08-13 US disclosed
EP-2364976-B1 S1P receptor modulating compounds and use thereof EPIX PHARM INC (US) 2014-10-08 EP disclosed
EP-2364976-B1 S1P receptor modulating compounds and use thereof EPIX PHARM INC (US) 2014-10-08 EP disclosed
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 US disclosed
US-8691991-B2 2-oxonaphthyridine-3-carboxamides HIV integrase inhibitors SHIONOGI & CO., LTD. (JP) 2014-04-08 US disclosed
EP-2364976-A1 S1P receptor modulating compounds and use thereof EPIX Pharmaceuticals, Inc. (US) 2011-09-14 EP disclosed
EP-2364976-A1 S1P receptor modulating compounds and use thereof EPIX Pharmaceuticals, Inc. (US) 2011-09-14 EP disclosed
US-20110212940-A1 S1P Receptor Modulating Compounds and Use Thereof EPIX PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
US-20110212940-A1 S1P Receptor Modulating Compounds and Use Thereof EPIX PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
US-20110212940-A1 S1P Receptor Modulating Compounds and Use Thereof EPIX PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
US-20080234231-A1 Hiv Integrase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-09-25 US disclosed
US-20080214527-A1 Hiv Integrase Inhibitors SHIONOGI & CO. LTD (JP) 2008-09-04 US disclosed
US-20080214503-A1 Hiv Integrase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-09-04 US disclosed
US-20080194523-A1 Hiv Integrase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-08-14 US disclosed
US-20080027036-A1 S1P receptor modulating compounds and use thereof EPIX DELAWARE, INC. (US) 2008-01-31 US disclosed
US-20080027036-A1 S1P receptor modulating compounds and use thereof EPIX DELAWARE, INC. (US) 2008-01-31 US disclosed
US-20080027036-A1 S1P receptor modulating compounds and use thereof EPIX DELAWARE, INC. (US) 2008-01-31 US disclosed
WO-2007109334-A2 SIP RECEPTOR MODULATING COMPOUNDS AND USE THEREOF EPIX DELAWARE, INC. (US) 2007-09-27 WO disclosed
WO-2007109334-A2 SIP RECEPTOR MODULATING COMPOUNDS AND USE THEREOF EPIX DELAWARE, INC. (US) 2007-09-27 WO disclosed
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 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 (8 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-20080027036-A1 S1P receptor modulating compounds and use thereof S1PR1, S1PR5, S1PR2 CALM1 2773/4885IDH1 3910/4885CYP11B1 302/4885
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS BCDIN3D, DUT, SAMHD1 CALM1 4363/4885IDH1 441/4885CYP11B1 3749/4885
US-20080214527-A1 Hiv Integrase Inhibitors API5, ING2, SAMHD1 CALM1 3824/4885IDH1 794/4885CYP11B1 3349/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 CALM1 3732/4885IDH1 694/4885CYP11B1 3281/4885
US-20110212940-A1 S1P Receptor Modulating Compounds and Use Thereof S1PR1, S1PR5, S1PR2 CALM1 2773/4885IDH1 3910/4885CYP11B1 302/4885
US-20080214503-A1 Hiv Integrase Inhibitors SAMHD1, ACIN1, API5 CALM1 3635/4885IDH1 367/4885CYP11B1 3061/4885
US-20080194523-A1 Hiv Integrase Inhibitors ING2, API5, SAMHD1 CALM1 3684/4885IDH1 603/4885CYP11B1 3168/4885
US-20080234231-A1 Hiv Integrase Inhibitors ING2, API5, SAMHD1 CALM1 3684/4885IDH1 603/4885CYP11B1 3168/4885

“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.