SCHEMBL16098969

SCHEMBL16098969

COc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1NC(=O)CC1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.55
HDAC1 Q13547 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
ALDH1A1 P00352 3/20 0.53
LMNA P02545 3/20 0.53
KMT2A Q03164 3/20 0.53
KDM4E B2RXH2 2/20 0.53
MAPT P10636 2/20 0.53
HPGD P15428 1/20 0.53
LTB4R Q15722 2/20 0.52
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
WNT3A P56704 1/20 0.50
TPSAB1 Q15661 1/20 0.49
TPSD1 Q9BZJ3 1/20 0.49
TPSG1 Q9NRR2 1/20 0.49
MEN1 O00255 2/20 0.49
HTR2C P28335 1/20 0.49
LDLR P01130 1/20 0.49

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
SCHEMBL17512402 0.82 LMNA (0.52) ALDH1A1LMNAKMT2AKDM4EMAPT
SCHEMBL16097992 0.82 HDAC1 (0.61) MCHR1HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL17512365 0.81 LMNA (0.51) ALDH1A1LMNAKMT2AKDM4EMAPT
SCHEMBL16097389 0.80 WNT3A (0.63) MCHR1ALDH1A1LMNAKMT2AMAPT
SCHEMBL16097123 0.80 MCHR1 (0.56) MCHR1HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL16129628 0.79 WNT3A (0.62) MCHR1ALDH1A1LMNAKMT2AMAPT
SCHEMBL16099209 0.79 WNT3A (0.59) MCHR1ALDH1A1LMNAKMT2AKDM4E
SCHEMBL16097798 0.79 WNT3A (0.61) MCHR1ALDH1A1KMT2AMAPTHSD17B10
SCHEMBL16097768 0.79 WNT3A (0.61) MCHR1ALDH1A1LMNAKMT2AMAPT
SCHEMBL16098030 0.79 WNT3A (0.64) MCHR1ALDH1A1KMT2AMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160052898-A1 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-02-25 US claimed
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 claimed
WO-2014147182-A2 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-09-25 WO claimed
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
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 MCHR1 4601/4885HDAC1 95/4885HDAC8 137/4885

“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.