SCHEMBL393877

SCHEMBL393877

NNC(=O)CCc1c[nH]c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 1.00
ALDH1A1 P00352 2/20 1.00
GAA P10253 1/20 1.00
HPGD P15428 1/20 0.67
HTT P42858 1/20 0.67
RECQL P46063 1/20 0.67
FAAH O00519 1/20 0.61
GFER P55789 1/20 0.61
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
POLB P06746 2/20 0.60
AANAT Q16613 1/20 0.58
KDM4E B2RXH2 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
LMNA P02545 1/20 0.57
CYP1A2 P05177 1/20 0.57
PKM P14618 1/20 0.57
TSHR P16473 1/20 0.57
CYP2C19 P33261 1/20 0.57
BLM P54132 1/20 0.57

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
SCHEMBL3431608 0.91 MAPT (0.84) MAPTALDH1A1GAAHPGDRECQL
SCHEMBL12371556 0.88 MAPT (0.78) MAPTALDH1A1GAAHPGDHTT
SCHEMBL1520411 0.86 MAPT (0.76) MAPTALDH1A1GAAHPGDHTT
SCHEMBL6275395 0.85 ALDH1A1 (0.74) MAPTALDH1A1GAAHPGDHTT
SCHEMBL947150 0.84 MAPT (0.73) MAPTALDH1A1GAAHPGDKMT2A
SCHEMBL29634969 0.84 MAPT (0.72) MAPTALDH1A1GAAHPGDHTT
SCHEMBL8998855 0.84 MAPT (0.72) MAPTALDH1A1GAAHPGDHTT
SCHEMBL7677886 0.84 MEN1 (0.84) MAPTALDH1A1GAAGFERKMT2A
SCHEMBL27099044 0.83 MTNR1A (0.77) MAPTALDH1A1GAAHPGDHTT
SCHEMBL664283 0.83 MAPT (0.70) MAPTALDH1A1GAAHPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3740208-B1 COMPOUNDS FOR TREATING RAC-GTPASE MEDIATED DISORDER CHILDRENS MEDICAL CENTER (US) 2023-10-25 EP disclosed
US-11685733-B2 Compounds for treating Rac-GTPase mediated disorder CHILDREN'S MEDICAL CENTER CORPORATION (US) 2023-06-27 US disclosed
US-11685733-B2 Compounds for treating Rac-GTPase mediated disorder CHILDREN'S MEDICAL CENTER CORPORATION (US) 2023-06-27 US disclosed
US-11685733-B2 Compounds for treating Rac-GTPase mediated disorder CHILDREN'S MEDICAL CENTER CORPORATION (US) 2023-06-27 US disclosed
EP-3740208-A1 COMPOUNDS FOR TREATING RAC-GTPASE MEDIATED DISORDER CHILDREN'S MEDICAL CENTER CORPORATION (US) 2020-11-25 EP disclosed
US-20200347044-A1 Compounds for Treating Rac-GTPase Mediated Disorder CHILDREN'S MEDICAL CENTER CORPORATION 2020-11-05 US disclosed
US-20200347044-A1 Compounds for Treating Rac-GTPase Mediated Disorder CHILDREN'S MEDICAL CENTER CORPORATION 2020-11-05 US disclosed
WO-2019143833-A1 COMPOUNDS FOR TREATING RAC-GTPASE MEDIATED DISORDER CHILDREN'S MEDICAL CENTER CORPORATION (US) 2019-07-25 WO disclosed
WO-2019143833-A1 COMPOUNDS FOR TREATING RAC-GTPASE MEDIATED DISORDER CHILDREN'S MEDICAL CENTER CORPORATION (US) 2019-07-25 WO disclosed
EP-1915149-B1 NOVEL TRIAZOLE DERIVATIVES AS GHRELIN ANALOGUE LIGANDS OF GROWTH HORMONE SECRETAGOGUE RECEPTORS AETERNA ZENTARIS GMBH (DE) 2018-10-10 EP disclosed
EP-2103602-A1 Novel 1,2,4-triazole derivatives and process of manufacturing thereof AEterna Zentaris GmbH (DE) 2009-09-23 EP disclosed
WO-2009065854-A1 N-ACYLHYDRAZONE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2009-05-28 WO disclosed
US-20090042905-A1 TRIAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AETERNA ZENTARIS GMBH (DE) 2009-02-12 US disclosed
WO-2008098977-A1 NOVEL TRIAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS ÆTERNA ZENTARIS GMBH (DE) 2008-08-21 WO disclosed
EP-1958631-A1 Novel triazole derivatives as ligands of G-protein coupled receptors AEterna Zentaris GmbH (DE) 2008-08-20 EP disclosed
EP-1915149-A2 NOVEL TRIAZOLE DERIVATIVES AS GHRELIN ANALOGUE LIGANDS OF GROWTH HORMONE SECRETAGOGUE RECEPTORS AEterna Zentaris GmbH (DE) 2008-04-30 EP disclosed
US-20070208061-A2 NOVEL TRIAZOLE DERIVATIVES AS GHRELIN ANALOGUE LIGANDS OF GROWTH HORMONE SECRETAGOGUE RECEPTORS ZENTARIS GMBH (DE) 2007-09-06 US disclosed
EP-1757290-A1 Novel triazole derivatives as ghrelin analogue ligands of growth hormone secretagogue receptors Zentaris GmbH (DE) 2007-02-28 EP disclosed
WO-2007020013-A2 NOVEL TRIAZOLE DERIVATIVES AS GHRELIN ANALOGUE LIGANDS OF GROWTH HORMONE SECRETAGOGUE RECEPTORS ÆTERNA ZENTARIS GMBH (DE) 2007-02-22 WO disclosed
US-20070037857-A1 Novel triazole derivatives as ghrelin analogue ligands of growth hormone secretagogue receptors ZENTARIS GMBH (DE) 2007-02-15 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 (5 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-11685733-B2 Compounds for treating Rac-GTPase mediated disorder ARHGDIB, ARHGEF2, ARHGDIA MAPT 3225/4885ALDH1A1 3084/4885GAA 911/4885
US-20070208061-A2 NOVEL TRIAZOLE DERIVATIVES AS GHRELIN ANALOGUE LIGANDS OF GROWTH HORMONE SECRETAGOGUE RECEPTORS GIPR, GHSR, GPR119 MAPT 4829/4885ALDH1A1 3459/4885GAA 1604/4885
US-20200347044-A1 Compounds for Treating Rac-GTPase Mediated Disorder ARHGDIB, ARHGEF2, ARHGDIA MAPT 3225/4885ALDH1A1 3084/4885GAA 911/4885
US-20070037857-A1 Novel triazole derivatives as ghrelin analogue ligands of growth hormone secretagogue receptors GIPR, GHSR, GPR119 MAPT 4829/4885ALDH1A1 3459/4885GAA 1604/4885
US-20090042905-A1 TRIAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS GPR3, GRK3, GPR88 MAPT 4470/4885ALDH1A1 2149/4885GAA 3696/4885

“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.