SCHEMBL23306608

SCHEMBL23306608

O=C(O)N1CCN(c2cnc(Br)s2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.40
HSD17B10 Q99714 1/20 0.40
DPP4 P27487 1/20 0.39
HDAC3 O15379 3/20 0.38
HDAC4 P56524 3/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC7 Q8WUI4 3/20 0.38
HDAC2 Q92769 3/20 0.38
HDAC10 Q969S8 3/20 0.38
HDAC11 Q96DB2 3/20 0.38
HDAC8 Q9BY41 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
HDAC9 Q9UKV0 3/20 0.38
HDAC5 Q9UQL6 3/20 0.38
KMT2A Q03164 1/20 0.35
AKR1C3 P42330 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
SLC6A7 Q99884 4/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL21066378 0.82 DPP4 (0.38) RECQLHSD17B10DPP4HDAC3HDAC4
SCHEMBL30695510 0.77 HDAC3 (0.40) DPP4HDAC3HDAC4HDAC1HDAC7
SCHEMBL29666361 0.77 GRM5 (0.44) RECQLHSD17B10HDAC3HDAC4HDAC1
SCHEMBL28754873 0.77 HDAC3 (0.51) RECQLHSD17B10DPP4HDAC3HDAC4
SCHEMBL2825734 0.76 PANK3 (0.52) RECQLHSD17B10KMT2AAKR1C3SLC6A7
SCHEMBL14349555 0.74 ALDH1A1 (0.42) HSD17B10DPP4KMT2AGAAALDH1A1
SCHEMBL26074182 0.74 CKS1B (0.52) KMT2AALDH1A1TSHR
SCHEMBL21553750 0.70 POLB (0.45) HSD17B10KMT2ASLC6A7GAAALDH1A1
SCHEMBL29631780 0.70 POLB (0.41) HSD17B10HDAC3HDAC4HDAC1HDAC7
SCHEMBL29666401 0.70 HSD17B10 (0.40) RECQLHSD17B10HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230117470-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS TOLL RECEPTOR INHIBITORS SYNGENE INTERNATIONAL LIMITED (IN) 2023-04-20 US disclosed
WO-2021087181-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS TOLL RECEPTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-06 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 (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-20230117470-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS TOLL RECEPTOR INHIBITORS TLR1, TLR3, TLR9 RECQL 1630/4885HSD17B10 4486/4885DPP4 2987/4885

“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.