SCHEMBL760892

SCHEMBL760892

CS(=O)(=O)NCCc1c[nH]c2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.70
HTR2A P28223 2/20 0.65
KDM4E B2RXH2 1/20 0.65
ALDH1A1 P00352 1/20 0.65
HTR1A P08908 1/20 0.65
HTT P42858 1/20 0.65
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
LMNA P02545 1/20 0.61
CYP1A2 P05177 1/20 0.61
PKM P14618 1/20 0.61
TSHR P16473 1/20 0.61
CYP2C19 P33261 1/20 0.61
BLM P54132 1/20 0.61
MC5R P33032 1/20 0.59
MC3R P41968 1/20 0.59
MC1R Q01726 1/20 0.59

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
SCHEMBL19410682 0.91 ALOX12 (0.62) CYP19A1HTR2AKDM4EALDH1A1HTR1A
SCHEMBL28314091 0.88 CYP19A1 (0.77) CYP19A1HTR2AKDM4EALDH1A1HTR1A
SCHEMBL743327 0.86 CYP19A1 (0.72) CYP19A1HTR2AKDM4EALDH1A1HTR1A
SCHEMBL1854946 0.84 MC1R (0.54) CYP19A1HTR2AKDM4EALDH1A1HTR1A
SCHEMBL26195134 0.84 CYP19A1 (0.65) CYP19A1HTR2AKDM4EALDH1A1HTR1A
SCHEMBL2608924 0.84 CYP19A1 (0.65) CYP19A1HTR2AKDM4EALDH1A1HTR1A
SCHEMBL2945791 0.84 CYP19A1 (0.68) CYP19A1MEN1KMT2A
SCHEMBL28112078 0.83 CYP19A1 (0.70) CYP19A1HTR2AKDM4EALDH1A1HTR1A
SCHEMBL30589551 0.82 CYP19A1 (1.00) CYP19A1ALDH1A1MEN1KMT2A
SCHEMBL2945797 0.82 CYP19A1 (1.00) CYP19A1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108484610-B Preparation method of peroxy-substituted pyrrole/furoindoline 华中科技大学 2020-01-10 CN disclosed
EP-2670733-B1 N-HYDROXYBENZAMIDE DERIVATIVES AS HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME UNIV ILLINOIS (US) 2019-04-10 EP disclosed
EP-2670733-B1 N-HYDROXYBENZAMIDE DERIVATIVES AS HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME UNIV ILLINOIS (US) 2019-04-10 EP disclosed
US-RE47009-E1 HDAC inhibitors and therapeutic methods using the same THE CHILDREN'S HOSPITAL OF PHILADELPHIA (US) 2018-08-28 US disclosed
CN-106146534-A A kind of three ring Benzomorpholine derivatives and preparation method thereof 福州大学 2016-11-23 CN disclosed
US-9249087-B2 HDAC inhibitors and therapeutic methods using the same THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-02-02 US disclosed
US-20140128408-A1 HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2014-05-08 US disclosed
US-20140128408-A1 HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2014-05-08 US disclosed
US-20140128408-A1 HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2014-05-08 US disclosed
EP-2670733-A2 HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME The Board of Trustees of the University of Illinois (US) 2013-12-11 EP disclosed
WO-2012106343-A2 HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-08-09 WO disclosed
WO-2012106343-A2 HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-08-09 WO disclosed
US-8138218-B2 Growth hormone secretagogues IPSEN PHARMA S.A.S. (FR) 2012-03-20 US disclosed
US-20090131478-A1 Growth Hormone Secretagogues IPSEN PHARMA S.A.S. (FR) 2009-05-21 US 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-20140128408-A1 HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME HDAC1, HDAC9, HDAC8 CYP19A1 3647/4885HTR2A 2483/4885KDM4E 257/4885
US-20090131478-A1 Growth Hormone Secretagogues GHSR, GHRHR, GHITM CYP19A1 303/4885HTR2A 1105/4885KDM4E 4222/4885

“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.