SCHEMBL4744609

SCHEMBL4744609

COc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.76
RAB9A P51151 6/20 0.76
MAPT P10636 6/20 0.76
SMN1; SMN2 Q16637 3/20 0.76
HTT P42858 2/20 0.76
EPHX1 P07099 2/20 0.71
EPHX2 P34913 2/20 0.71
KMT2A Q03164 5/20 0.68
MEN1 O00255 4/20 0.68
LMNA P02545 1/20 0.68
ADORA3 P0DMS8 1/20 0.68
CHRM1 P11229 1/20 0.68
SLC6A2 P23975 1/20 0.68
PDE4A P27815 1/20 0.68
ADRA1A P35348 1/20 0.68
OPRM1 P35372 1/20 0.68
PDE3A Q14432 1/20 0.68
NLRP3 Q96P20 1/20 0.68
CA2 P00918 2/20 0.65
CA9 Q16790 2/20 0.65

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
SCHEMBL14550519 0.88 RAB9A (0.69) NPC1RAB9AMAPTSMN1; SMN2HTT
SCHEMBL4118878 0.88 MAPT (0.77) NPC1RAB9AMAPTSMN1; SMN2HTT
SCHEMBL19478517 0.84 NPC1 (0.74) NPC1RAB9AMAPTSMN1; SMN2HTT
SCHEMBL11092496 0.84 RAB9A (1.00) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL2683478 0.84 EPHX1 (1.00) NPC1RAB9AMAPTSMN1; SMN2HTT
SCHEMBL30640703 0.84 EPHX1 (1.00) NPC1RAB9AMAPTSMN1; SMN2HTT
SCHEMBL29373924 0.83 EPHX1 (0.70) NPC1RAB9AMAPTSMN1; SMN2HTT
SCHEMBL4117940 0.83 MAPT (0.66) NPC1RAB9AMAPTSMN1; SMN2HTT
SCHEMBL13945701 0.83 EPHX2 (0.65) NPC1RAB9AMAPTSMN1; SMN2HTT
SCHEMBL12112915 0.83 MAPT (0.66) NPC1RAB9AMAPTSMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
WO-2008101030-A1 METHODS FOR AMPLIFYING STEROID HORMONE EFFECTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-08-21 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 (4 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 NPC1 1296/4885RAB9A 3091/4885MAPT 2167/4885
US-12098117-B2 Compositions and methods for the treatment of cancer HSF1, HSP90AB1, HSP90AA1 NPC1 1296/4885RAB9A 3091/4885MAPT 2167/4885
US-20240317727-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER HSF1, HSP90AB1, HSP90AA1 NPC1 1296/4885RAB9A 3091/4885MAPT 2167/4885
US-20220106265-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER HSF1, HSP90AB1, HSP90AA1 NPC1 1296/4885RAB9A 3091/4885MAPT 2167/4885

“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.