SCHEMBL7980937

SCHEMBL7980937

O=C(Nc1ccccc1)Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.81
EPHX2 P34913 3/20 0.81
MEN1 O00255 10/20 0.77
KMT2A Q03164 10/20 0.77
NPC1 O15118 8/20 0.77
LMNA P02545 5/20 0.77
HTT P42858 4/20 0.77
ADORA3 P0DMS8 1/20 0.77
CHRM1 P11229 1/20 0.77
SLC6A2 P23975 1/20 0.77
PDE4A P27815 1/20 0.77
ADRA1A P35348 1/20 0.77
OPRM1 P35372 1/20 0.77
PDE3A Q14432 1/20 0.77
NLRP3 Q96P20 1/20 0.77
CBS P35520 1/20 0.73
MAPT P10636 7/20 0.73
SMN1; SMN2 Q16637 4/20 0.73
RAB9A P51151 7/20 0.69
KDM4E B2RXH2 1/20 0.69

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
SCHEMBL2683478 0.90 EPHX1 (1.00) EPHX1EPHX2MEN1KMT2ANPC1
SCHEMBL30640703 0.90 EPHX1 (1.00) EPHX1EPHX2MEN1KMT2ANPC1
Triclocarban SCHEMBL8076465 0.87 NPC1 (0.79) EPHX1EPHX2MEN1KMT2ANPC1
Triclocarban SCHEMBL27313500 0.87 MEN1 (1.00) EPHX1EPHX2MEN1KMT2ANPC1
Triclocarban SCHEMBL68658 0.87 MEN1 (1.00) EPHX1EPHX2MEN1KMT2ANPC1
Triclocarban SCHEMBL30479188 0.87 MEN1 (1.00) EPHX1EPHX2MEN1KMT2ANPC1
Triclocarban SCHEMBL4978963 0.87 MEN1 (1.00) EPHX1EPHX2MEN1KMT2ANPC1
SCHEMBL4358566 0.86 MEN1 (0.69) EPHX1EPHX2MEN1KMT2ANPC1
SCHEMBL457521 0.86 MEN1 (0.79) EPHX1EPHX2MEN1KMT2ANPC1
Triclocarban SCHEMBL10888069 0.85 MEN1 (0.96) EPHX1EPHX2MEN1KMT2ANPC1

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
WO-2001007431-A2 BENZOTHIOPHENE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-02-01 WO claimed
US-20240409504-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER DUKE UNIVERSITY 2024-12-12 US disclosed
US-20240317727-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER DUKE UNIVERSITY 2024-09-26 US disclosed
US-12098117-B2 Compositions and methods for the treatment of cancer DUKE UNIVERSITY (US) 2024-09-24 US disclosed
US-20220106265-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER DUKE UNIVERSITY (US) 2022-04-07 US disclosed
EP-3894392-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER Duke University (US) 2021-10-20 EP disclosed
CN-111902088-A Imaging table and method for manufacturing the same, imaging table for molybdenum target inspection device and method for manufacturing the same, and molybdenum target inspection device 东丽株式会社 2020-11-06 CN disclosed
WO-2020123675-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER DUKE UNIVERSITY (US) 2020-06-18 WO disclosed
WO-2020123675-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER DUKE UNIVERSITY (US) 2020-06-18 WO disclosed
US-20110110958-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEOPLASIA UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2011-05-12 US disclosed
WO-2001007431-A2 BENZOTHIOPHENE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-02-01 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 (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-20240409504-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER HSF1, HSP90AB1, HSP90AA1 EPHX1 3300/4885EPHX2 3586/4885MEN1 4220/4885
US-12098117-B2 Compositions and methods for the treatment of cancer HSF1, HSP90AB1, HSP90AA1 EPHX1 3300/4885EPHX2 3586/4885MEN1 4220/4885
US-20240317727-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER HSF1, HSP90AB1, HSP90AA1 EPHX1 3300/4885EPHX2 3586/4885MEN1 4220/4885
US-20110110958-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEOPLASIA TP53, NUP205, ANXA5 EPHX1 2723/4885EPHX2 3481/4885MEN1 2133/4885
US-20220106265-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER HSF1, HSP90AB1, HSP90AA1 EPHX1 3300/4885EPHX2 3586/4885MEN1 4220/4885

“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.