SCHEMBL16400352

SCHEMBL16400352

O=C(c1c[nH]nn1)C1CCC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
RAB9A P51151 3/20 0.36
JAK3 P52333 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SRD5A2 P31213 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
NPC1 O15118 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL11896867 0.84 SMN1; SMN2 (0.33) SMN1; SMN2HTTRAB9ANPC1HRH3
SCHEMBL19886319 0.69 NPC1 (0.49) SMN1; SMN2KMT2ARAB9AALDH1A1NPC1
SCHEMBL19691216 0.69 SMYD3 (0.42) SMN1; SMN2KMT2ARAB9ANPC1
SCHEMBL28631654 0.68 KMT2A (0.46) SMN1; SMN2HTTKMT2ATDP1RAB9A
SCHEMBL9426831 0.67
SCHEMBL30149273 0.67 KDM4E (0.36) TDP1ALDH1A1HCAR2
SCHEMBL30522334 0.67
SCHEMBL28905564 0.67
SCHEMBL15555122 0.67 KMT2A (0.44) SMN1; SMN2HTTKMT2ATDP1RAB9A
SCHEMBL22372184 0.66 HIF1A (0.45) TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3626242-B1 ITRACONAZOLE ANALOGS AS INHIBITORS OF FIBROSIS SCRIPPS RESEARCH INST (US) 2024-08-07 EP disclosed
EP-3626242-A1 ITRACONAZOLE ANALOGS AS INHIBITORS OF FIBROSIS The Scripps Research Institute (US) 2020-03-25 EP disclosed
EP-3003038-B1 2H-1,2,3-TRIAZOLE DERIVATIVES AS INHIBITORS OF FIBROSIS SCRIPPS RESEARCH INST (US) 2019-08-14 EP disclosed
CN-105392364-B Small molecule inhibitors of fibrosis 加州生物医学研究所 2018-09-14 CN disclosed
US-9981956-B2 Small molecule inhibitors of fibrosis THE SCRIPPS RESEARCH INSTITUTE (US) 2018-05-29 US disclosed
US-20170217943-A1 SMALL MOLECULE INHIBITORS OF FIBROSIS THE SCRIPPS RESEARCH INSTITUTE 2017-08-03 US disclosed
US-9663499-B2 Small molecule inhibitors of fibrosis THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2017-05-30 US disclosed
US-20160130258-A1 SMALL MOLECULE INHIBITORS OF FIBROSIS THE SCRIPPS RESEARCH INSTITUTE 2016-05-12 US disclosed
EP-3003038-A1 SMALL MOLECULE INHIBITORS OF FIBROSIS The California Institute for Biomedical Research (US) 2016-04-13 EP disclosed
CN-105392364-A Small molecule inhibitors of fibrosis CALIFORNIA INST BIOMEDICAL RES 2016-03-09 CN disclosed
WO-2014197738-A1 SMALL MOLECULE INHIBITORS OF FIBROSIS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2014-12-11 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-20160130258-A1 SMALL MOLECULE INHIBITORS OF FIBROSIS MMP1, COL2A1, MMP8 SMN1; SMN2 4073/4885HTT 4637/4885KMT2A 4178/4885
US-20170217943-A1 SMALL MOLECULE INHIBITORS OF FIBROSIS MMP1, COL2A1, MMP8 SMN1; SMN2 4073/4885HTT 4637/4885KMT2A 4178/4885

“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.