SCHEMBL4358591

SCHEMBL4358591

Cc1c(Cl)cc(NC(=O)Nc2cc(Cl)cc(Cl)c2)c(O)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 2/20 0.49
MEN1 O00255 7/20 0.47
KMT2A Q03164 7/20 0.47
MAPT P10636 5/20 0.47
RAB9A P51151 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
DHODH Q02127 1/20 0.47
TRPV1 Q8NER1 2/20 0.45
LMNA P02545 4/20 0.41
ALDH1A1 P00352 4/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL4348718 0.87 MEN1 (0.53) MEN1KMT2AMAPTRAB9ATRPV1
SCHEMBL4359810 0.84 MEN1 (0.56) MEN1KMT2AMAPTRAB9ANPSR1
SCHEMBL4353169 0.82 ALDH1A1 (0.55) MEN1KMT2AMAPTRAB9ALMNA
SCHEMBL15786320 0.82 P2RY1 (0.46) P2RY1MEN1KMT2AMAPTRAB9A
SCHEMBL4343768 0.81 MAPT (0.49) MEN1KMT2AMAPTRAB9ALMNA
SCHEMBL12500110 0.81 P2RY1 (0.66) P2RY1MEN1KMT2AMAPTRAB9A
SCHEMBL4345888 0.80 P2RY1 (0.56) P2RY1MEN1KMT2AMAPTRAB9A
SCHEMBL6416431 0.79 GPR35 (0.44) MEN1KMT2AMAPTRAB9ATRPV1
SCHEMBL14563706 0.79 KMT2A (0.40) MEN1KMT2ARAB9ATRPV1POLB
SCHEMBL4355634 0.79 MAPT (0.56) MEN1KMT2AMAPTRAB9ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110065760-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF JERINI AG (DE) 2011-03-17 US claimed
EP-2100876-A2 New compounds for the inhibition of rotamases and use thereof Jerini AG (DE) 2009-09-16 EP claimed
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors JERINI AG (DE) 2007-03-08 US claimed
CN-1701061-A Novel compounds for inhibiting rotamase enzymes and uses thereof JERINI AG (DE) 2005-11-23 CN claimed
EP-1402887-A1 New compounds for the inhibition of undesired cell proliferation and use thereof Jerini AG (DE) 2004-03-31 EP claimed
EP-1402888-A1 The use of substituted carbocyclic compounds as rotamases inhibitors Jerini AG (DE) 2004-03-31 EP claimed
US-11583509-B2 Compound for treating cancer and diabetes CITY OF HOPE (US) 2023-02-21 US disclosed
US-11583509-B2 Compound for treating cancer and diabetes CITY OF HOPE (US) 2023-02-21 US disclosed
US-20220023240-A1 COMPOUND FOR TREATING CANCER AND DIABETES CITY OF HOPE 2022-01-27 US disclosed
US-20220023240-A1 COMPOUND FOR TREATING CANCER AND DIABETES CITY OF HOPE 2022-01-27 US disclosed
US-10588854-B2 Polymer implants for treatment of metabolic disorders UNIVERSITY OF SOUTH CAROLINA (US) 2020-03-17 US disclosed
US-20190000749-A1 Polymer Implants for Treatment of Metabolic Disorders NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-01-03 US disclosed
US-10092508-B2 Polymer implants for treatment of metabolic disorders UNIVERSITY OF SOUTH CAROLINA (US) 2018-10-09 US disclosed
US-20170367974-A1 Polymer Implants For Treatment Of Metabolic Disorders UNIVERSITY OF SOUTH CAROLINA 2017-12-28 US disclosed
US-9808434-B2 Compound for treating cancer and diabetes CITY OF HOPE (US) 2017-11-07 US disclosed
US-9808434-B2 Compound for treating cancer and diabetes CITY OF HOPE (US) 2017-11-07 US disclosed
US-20160354327-A1 COMPOUND FOR TREATING CANCER AND DIABETES CITY OF HOPE 2016-12-08 US disclosed
US-20160354327-A1 COMPOUND FOR TREATING CANCER AND DIABETES CITY OF HOPE 2016-12-08 US disclosed
WO-2012103523-A2 NOVEL MODULATORS OF DEVELOPMENT OF ADIPOCYTE AND CANCER CELLS RAHBAR SAMUEL (US) 2012-08-02 WO disclosed
EP-2100876-A2 New compounds for the inhibition of rotamases and use thereof Jerini AG (DE) 2009-09-16 EP 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 (9 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-20110065760-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF NR1I3, NR1D1, NR1D2 P2RY1 3208/4885MEN1 2168/4885KMT2A 2096/4885
US-20170367974-A1 Polymer Implants For Treatment Of Metabolic Disorders LRBA, FABP4, APMAP P2RY1 3152/4885MEN1 3428/4885KMT2A 1073/4885
US-10588854-B2 Polymer implants for treatment of metabolic disorders LRBA, FABP4, APMAP P2RY1 3152/4885MEN1 3428/4885KMT2A 1073/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 P2RY1 3254/4885MEN1 3901/4885KMT2A 1254/4885
US-20220023240-A1 COMPOUND FOR TREATING CANCER AND DIABETES TP53, VHL, SLC2A4 P2RY1 4063/4885MEN1 1206/4885KMT2A 1538/4885
US-11583509-B2 Compound for treating cancer and diabetes TP53, VHL, SLC2A4 P2RY1 4063/4885MEN1 1206/4885KMT2A 1538/4885
US-10092508-B2 Polymer implants for treatment of metabolic disorders LRBA, FABP4, APMAP P2RY1 3152/4885MEN1 3428/4885KMT2A 1073/4885
US-20160354327-A1 COMPOUND FOR TREATING CANCER AND DIABETES TP53, VHL, SLC2A4 P2RY1 4063/4885MEN1 1206/4885KMT2A 1538/4885
US-20190000749-A1 Polymer Implants for Treatment of Metabolic Disorders LRBA, FABP4, APMAP P2RY1 3152/4885MEN1 3428/4885KMT2A 1073/4885

“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.