SCHEMBL16098263

SCHEMBL16098263

Nc1ccc(Br)c(NC(=O)CN2CCOCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.57
GAA P10253 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
KDM4E B2RXH2 1/20 0.56
HTT P42858 1/20 0.55
RAD52 P43351 2/20 0.53
GFER P55789 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
TSHR P16473 1/20 0.52
MAPT P10636 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ATM Q13315 1/20 0.50
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL16098331 0.85 POLB (0.69) ALDH1A1GAANPSR1KDM4ERAD52
SCHEMBL3207824 0.85 POLB (0.59) ALDH1A1GAANPSR1KDM4ERAD52
SCHEMBL2964946 0.85 RAD52 (0.63) ALDH1A1GAANPSR1KDM4ERAD52
SCHEMBL6819648 0.83 ALDH1A1 (0.77) ALDH1A1GAANPSR1KDM4ERAD52
SCHEMBL4408076 0.81 WNT3A (0.58) ALDH1A1GAANPSR1KDM4ERAD52
SCHEMBL16097533 0.81 RAD52 (0.80) ALDH1A1KDM4ERAD52GFERSMN1; SMN2
SCHEMBL6174299 0.81 ALDH1A1 (0.69) ALDH1A1GAANPSR1KDM4EHTT
SCHEMBL16098528 0.81 KMT2A (0.68) ALDH1A1GAANPSR1KDM4EHTT
SCHEMBL16097717 0.79 RAD52 (0.59) ALDH1A1GAANPSR1KDM4ERAD52
SCHEMBL26640766 0.79 HRH3 (0.61) ALDH1A1GAANPSR1KDM4ERAD52

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 ALDH1A1 325/4885GAA 412/4885NPSR1 4538/4885

“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.