SCHEMBL27189368

SCHEMBL27189368

O=C(Cl)c1cnc[nH]c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
CYP3A4 P08684 3/20 0.38
TSHR P16473 2/20 0.38
GABRA1 P14867 1/20 0.38
NFKB1 P19838 1/20 0.38
GABRR1 P24046 1/20 0.38
GABRR2 P28476 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
KDM4E B2RXH2 3/20 0.37
PMP22 Q01453 2/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
BLM P54132 1/20 0.36
PKM P14618 1/20 0.34
DYRK1A Q13627 1/20 0.33
FKBP5 Q13451 1/20 0.33
POLB P06746 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL798220 0.81 NAPRT (0.45) ALDH1A1CYP3A4TSHRGABRA1NFKB1
SCHEMBL1210877 0.79 SIRT3 (0.41) ALDH1A1CYP3A4TSHRGABRA1NFKB1
SCHEMBL10194200 0.75 MEN1 (0.44) ALDH1A1TSHRKDM4EMAPTTP53
SCHEMBL5821247 0.73 HRH4 (0.39) ALDH1A1CYP3A4TSHRGABRA1NFKB1
SCHEMBL18729746 0.71
SCHEMBL798009 0.71 MEN1 (0.50) ALDH1A1TSHRKDM4EMAPTPOLB
SCHEMBL14715051 0.71 ALDH1A1 (0.35) ALDH1A1CYP3A4TSHRGABRA1NFKB1
SCHEMBL14715289 0.70 NPC1 (0.37) NPC1TP53RAB9ASMN1; SMN2KMT2A
SCHEMBL27871336 0.69 CYP3A4 (0.34) ALDH1A1CYP3A4TSHRGABRA1NFKB1
SCHEMBL1771094 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240270762-A1 PENICILLIN-BINDING PROTEIN INHIBITORS SPRING MILL PHARMA, INC. 2024-08-15 US disclosed
EP-4347607-A1 PENICILLIN-BINDING PROTEIN INHIBITORS Venatorx Pharmaceuticals, Inc. (US) 2024-04-10 EP disclosed
CN-117693511-A Penicillin binding protein inhibitors 维纳拓尔斯制药公司 2024-03-12 CN 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-20240270762-A1 PENICILLIN-BINDING PROTEIN INHIBITORS PEPD, BPGM, EBPL ALDH1A1 2794/4885CYP3A4 3077/4885TSHR 4262/4885

“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.