SCHEMBL424300

SCHEMBL424300

CCOC(=O)C(=O)c1csc(Br)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
NPSR1 Q6W5P4 3/20 0.46
PKM P14618 2/20 0.46
POLB P06746 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 3/20 0.40
RECQL P46063 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HSP90AA1 P07900 1/20 0.38
HPGD P15428 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38

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
SCHEMBL13451814 0.85 MAPT (0.47) MAPTRAB9ANPC1ALDH1A1MEN1
SCHEMBL21807430 0.84 MAPT (0.44) MAPTRAB9ANPC1ALDH1A1MEN1
SCHEMBL11004517 0.83 MAPT (0.46) MAPTRAB9ANPC1ALDH1A1MEN1
SCHEMBL285573 0.83 RAB9A (0.66) MAPTRAB9ANPC1ALDH1A1MEN1
SCHEMBL353584 0.82 ALDH1A1 (0.69) MAPTRAB9ANPC1ALDH1A1MEN1
SCHEMBL10465943 0.82 MAPT (0.45) MAPTRAB9ANPC1ALDH1A1MEN1
Hydrochloric Acid SCHEMBL11009689 0.81 ALDH1A1 (0.72) MAPTRAB9ANPC1ALDH1A1MEN1
SCHEMBL19481652 0.80 CYP1A2 (0.52) MAPTRAB9ANPC1ALDH1A1MEN1
SCHEMBL5518286 0.80 TLR7 (0.44) MAPTRAB9ANPC1ALDH1A1MEN1
SCHEMBL10464648 0.80 MEN1 (0.57) MAPTRAB9ANPC1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11267826-B2 Penicillin-binding protein inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2022-03-08 US disclosed
EP-3630783-A1 PENICILLIN-BINDING PROTEIN INHIBITORS Venatorx Pharmaceuticals, Inc. (US) 2020-04-08 EP disclosed
US-20200102331-A1 PENICILLIN-BINDING PROTEIN INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-04-02 US disclosed
WO-2018218154-A1 PENICILLIN-BINDING PROTEIN INHIBITORS VenatoRx Pharmaceuticals, Inc. (US) 2018-11-29 WO disclosed
US-8318746-B2 Nitrogen-containing five-membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 US disclosed
US-8318746-B2 Nitrogen-containing five-membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 US disclosed
US-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-26 US disclosed
US-8017610-B2 Phenylpyrrole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-09-13 US disclosed
US-20110003787-A1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-01-06 US disclosed
US-20100130446-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAS COMPANY LIMITED (JP) 2010-05-27 US disclosed
US-20100130446-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAS COMPANY LIMITED (JP) 2010-05-27 US disclosed
EP-2149550-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-02-03 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 (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-20110003787-A1 NOVEL PHENYLPYRROLE DERIVATIVE GCKR, GCK, SLC5A1 MAPT 4703/4885RAB9A 3083/4885NPC1 2719/4885
US-11267826-B2 Penicillin-binding protein inhibitors PEPD, BPGM, EBPL MAPT 3146/4885RAB9A 1980/4885NPC1 3502/4885
US-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE GCKR, GCK, SLC5A1 MAPT 4703/4885RAB9A 3083/4885NPC1 2719/4885
US-20200102331-A1 PENICILLIN-BINDING PROTEIN INHIBITORS PEPD, BPGM, EBPL MAPT 3146/4885RAB9A 1980/4885NPC1 3502/4885
US-20100130446-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND GCKR, GCK, SLC5A1 MAPT 3817/4885RAB9A 3633/4885NPC1 1413/4885

“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.