SCHEMBL21178436

SCHEMBL21178436

COC(=O)CCC(=O)NNC(=O)CCc1c[nH]c2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.64
ALDH1A1 P00352 3/20 0.64
GAA P10253 1/20 0.64
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
HPGD P15428 2/20 0.58
HTT P42858 1/20 0.58
RECQL P46063 1/20 0.58
CTSL P07711 1/20 0.57
GFER P55789 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
LMNA P02545 1/20 0.55
KDM4E B2RXH2 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
FAAH O00519 1/20 0.54

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
Methyl 3-(3-Indolylmethyl)Propanoate SCHEMBL290808 0.89 MAPT (0.71) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL12371556 0.89 MAPT (0.78) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL12836579 0.86 MEN1 (0.73) MAPTGAAMEN1KMT2AGFER
SCHEMBL1358575 0.84 CYP1A2 (0.76) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL8998855 0.83 MAPT (0.72) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL29634969 0.83 MAPT (0.72) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL9148446 0.83 CYP1A2 (0.70) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL9152556 0.82 CYP1A2 (0.68) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL6275395 0.81 ALDH1A1 (0.74) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL20441327 0.81 HTR2A (0.62) MAPTALDH1A1MEN1KMT2AHTT

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 10 patents. 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
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

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-11685733-B2 Compounds for treating Rac-GTPase mediated disorder ARHGDIB, ARHGEF2, ARHGDIA MAPT 3225/4885ALDH1A1 3084/4885GAA 911/4885
US-20200347044-A1 Compounds for Treating Rac-GTPase Mediated Disorder ARHGDIB, ARHGEF2, ARHGDIA MAPT 3225/4885ALDH1A1 3084/4885GAA 911/4885

“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.