SCHEMBL16129643

SCHEMBL16129643

CNc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)ccc1OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.65
KDM4E B2RXH2 3/20 0.65
LMNA P02545 2/20 0.65
MAPT P10636 2/20 0.65
ALDH1A1 P00352 2/20 0.65
HPGD P15428 1/20 0.65
HDAC1 Q13547 1/20 0.64
HDAC8 Q9BY41 1/20 0.64
HDAC6 Q9UBN7 1/20 0.64
TRPV1 Q8NER1 1/20 0.61
MCHR1 Q99705 7/20 0.60
ABCC1 P33527 1/20 0.58
ADORA3 P0DMS8 1/20 0.57
HTR2C P28335 1/20 0.57
SMO Q99835 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MEN1 O00255 2/20 0.56
PTPN1 P18031 1/20 0.56
GAA P10253 1/20 0.55
MAPK1 P28482 1/20 0.55

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
SCHEMBL16097992 0.84 HDAC1 (0.61) KMT2AKDM4ELMNAMAPTALDH1A1
SCHEMBL16098905 0.84 HDAC1 (0.64) KMT2AKDM4ELMNAMAPTALDH1A1
SCHEMBL23229477 0.83 ALDH1A1 (0.86) KMT2AKDM4ELMNAMAPTALDH1A1
SCHEMBL16099086 0.83 HDAC1 (0.60) KMT2AKDM4ELMNAMAPTALDH1A1
SCHEMBL16098149 0.83 TRPV1 (0.62) KMT2AKDM4ELMNAMAPTALDH1A1
SCHEMBL18030845 0.83 NR1H4 (0.67) KMT2AKDM4ELMNAMAPTALDH1A1
SCHEMBL23229663 0.83 KDM4E (0.60) KMT2AKDM4ELMNAMAPTALDH1A1
SCHEMBL18007316 0.82 KDM4E (0.73) KMT2AKDM4ELMNAMAPTALDH1A1
SCHEMBL18007312 0.81 TRPV1 (0.60) KMT2AKDM4ELMNAMAPTALDH1A1
SCHEMBL18030750 0.81 KDM4E (0.65) KMT2AKDM4ELMNAMAPTALDH1A1

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 3 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
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 KMT2A 336/4885KDM4E 995/4885LMNA 416/4885

“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.