SCHEMBL16097992

SCHEMBL16097992

COc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1NC(=O)CCl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
KMT2A Q03164 3/20 0.59
KDM4E B2RXH2 2/20 0.59
LMNA P02545 2/20 0.59
MAPT P10636 2/20 0.59
ALDH1A1 P00352 2/20 0.59
HPGD P15428 1/20 0.59
LTB4R Q15722 2/20 0.58
MCHR1 Q99705 9/20 0.58
HTR2C P28335 1/20 0.55
TRPV1 Q8NER1 1/20 0.55
MEN1 O00255 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
SMO Q99835 1/20 0.53
WNT3A P56704 1/20 0.53
ABCC1 P33527 1/20 0.53
NPC1 O15118 1/20 0.52
MITF O75030 1/20 0.52

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
SCHEMBL16129676 0.93 HDAC8 (0.64) HDAC1HDAC8HDAC6KMT2AKDM4E
SCHEMBL16097123 0.86 MCHR1 (0.56) HDAC1HDAC8HDAC6KMT2AKDM4E
SCHEMBL16129643 0.84 KMT2A (0.65) HDAC1HDAC8HDAC6KMT2AKDM4E
SCHEMBL16129633 0.84 KMT2A (0.61) HDAC1HDAC8HDAC6KMT2AKDM4E
SCHEMBL16099086 0.83 HDAC1 (0.60) HDAC1HDAC8HDAC6KMT2AKDM4E
SCHEMBL16099222 0.83 KMT2A (0.67) HDAC1HDAC8HDAC6KMT2AKDM4E
SCHEMBL16129632 0.82 HDAC1 (0.57) HDAC1HDAC8HDAC6KMT2AKDM4E
SCHEMBL16098273 0.82 WNT3A (0.71) HDAC1HDAC8HDAC6LTB4RWNT3A
SCHEMBL16098969 0.82 MCHR1 (0.55) HDAC1HDAC8HDAC6KMT2AKDM4E
SCHEMBL16098088 0.82 MCHR1 (0.62) HDAC1HDAC8HDAC6KMT2AKDM4E

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-20160052898-A1 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-02-25 US disclosed
US-20160052898-A1 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-02-25 US disclosed
US-20160052898-A1 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-02-25 US disclosed
EP-2976343-A2 SUBSTITUTED N-BIPHENYL-3-ACETYLAMINO-BENZAMIDES AND N-[3-(ACETYLAMINO)PHENYL]-BIPHENYL-CARBOXAMIDES AND THEIR USE AS INHIBITORS OF THE WNT SIGNALLING PATHWAY Bayer Pharma Aktiengesellschaft (DE) 2016-01-27 EP disclosed
WO-2014147182-A2 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-09-25 WO disclosed
WO-2014147182-A2 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-09-25 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 (1 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-20160052898-A1 NOVEL COMPOUNDS AADAC, NAT1, CCNA1 HDAC1 95/4885HDAC8 137/4885HDAC6 122/4885

“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.