SCHEMBL445905

SCHEMBL445905

O=C1NC(=O)C(c2ccc(Cn3c(=O)ccc4ccccc43)cc2)S1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.50
KMT2A Q03164 2/20 0.44
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
HDAC1 Q13547 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
PPARA Q07869 3/20 0.40
FFAR1 O14842 2/20 0.40
PPARG P37231 5/20 0.39
PPARD Q03181 2/20 0.36
CCR2 P41597 4/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CA12 O43570 1/20 0.33

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
SCHEMBL443290 0.78 TNF (0.55) CA2HDAC1HDAC6PPARAFFAR1
SCHEMBL443613 0.75 AGTR1 (0.59) PPARAFFAR1PPARGLMNAMAPT
SCHEMBL31666943 0.75 KMT2A (0.55) KMT2AHDAC1HDAC8HDAC6CCR2
SCHEMBL10642119 0.74 KMT2A (0.64) KMT2AHDAC1HDAC8HDAC6CCR2
SCHEMBL440513 0.73 HRH3 (0.49) PPARAFFAR1KDM4EALDH1A1HTT
SCHEMBL5184286 0.73 CCR2 (0.56) KMT2AHDAC1HDAC8HDAC6CCR2
SCHEMBL31366855 0.72 CA2 (0.66) CA2KMT2ADDB1CRBNPPARA
SCHEMBL28403947 0.70 KMT2A (0.68) KMT2AHDAC1HDAC8HDAC6CCR2
SCHEMBL24755105 0.70 DRD2 (0.51) KMT2AHDAC1HDAC8HDAC6CCR2
SCHEMBL6570475 0.69 CA2 (1.00) CA2KMT2ADDB1CRBNPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140335517-A1 DETECTION AND TREATMENT OF SCHIZOPHRENIA RENASCIENCE CO LTD (JP) 2014-11-13 US disclosed
US-8809329-B2 Detection and treatment of schizophrenia TOKYO METROPOLITAN INSTITUTE OF MEDICAL SCIENCE (JP) 2014-08-19 US disclosed
EP-2662453-A2 Detection and treatment of schizophrenia TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2013-11-13 EP disclosed
US-20120065198-A2 Detection and Treatment of Schizophrenia TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2012-03-15 US disclosed
US-20110028470-A1 Detection and Treatment of Schizophrenia TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2011-02-03 US disclosed
EP-2189537-A1 DETECTION AND TREATMENT OF SCHIZOPHRENIA TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2010-05-26 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 (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-20110028470-A1 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 CA2 2650/4885KMT2A 1703/4885DDB1 3373/4885
US-20120065198-A2 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 CA2 2650/4885KMT2A 1703/4885DDB1 3373/4885

“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.