SCHEMBL16119754

SCHEMBL16119754

O=C(Nc1ccc(OC(F)(F)F)c([N+](=O)[O-])c1)c1cnc(-c2ccccc2)s1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 7/20 0.57
PTPN1 P18031 1/20 0.49
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
PTPN11 Q06124 1/20 0.45
SLC6A3 Q01959 1/20 0.43
KCNH2 Q12809 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MITF O75030 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 2/20 0.42
CYP3A4 P08684 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ABL1 P00519 1/20 0.41
PPARA Q07869 1/20 0.41

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
SCHEMBL16101840 0.87 ALDH1A1 (0.55) WNT3APTPN1MEN1KMT2ASMN1; SMN2
SCHEMBL16101659 0.84 WNT3A (0.61) WNT3APTPN1HDAC1HDAC6PTPN11
SCHEMBL16099278 0.81 WNT3A (0.57) WNT3AMEN1KMT2AMAPTCYP3A4
SCHEMBL16129644 0.81 TDP1 (0.54) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL16097836 0.74 KCNQ3 (0.49) MEN1KMT2AMITFSMN1; SMN2MAPT
SCHEMBL12789568 0.73 PTPN1 (0.84) PTPN1HDAC1HDAC6PTPN11SLC6A3
SCHEMBL16119756 0.73 WNT3A (1.00) WNT3A
SCHEMBL17101124 0.73 ALDH1A1 (0.50) WNT3AMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL16098055 0.72 WNT3A (0.58) WNT3A
SCHEMBL16103368 0.72 WNT3A (0.58) WNT3APTPN1HDAC1HDAC6PTPN11

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-10130633-B2 Compounds BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-11-20 US disclosed
EP-2976327-B1 3-ACETYLAMINO-1-(PHENYL-HETEROARYL-AMINOCARBONYL OR PHENYL-HETEROARYL-CARBONYLAMINO)BENZENE DERIVATIVES FOR THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS Bayer Pharma AG (DE) 2017-06-21 EP disclosed
EP-2976327-B1 3-ACETYLAMINO-1-(PHENYL-HETEROARYL-AMINOCARBONYL OR PHENYL-HETEROARYL-CARBONYLAMINO)BENZENE DERIVATIVES FOR THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS Bayer Pharma AG (DE) 2017-06-21 EP disclosed
US-20160263122-A1 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-09-15 US disclosed
US-20160263122-A1 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-09-15 US disclosed
US-20160263122-A1 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-09-15 US disclosed
WO-2014147021-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 (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-20160263122-A1 NOVEL COMPOUNDS NAT1, AADAC, CBR3 WNT3A 3929/4885PTPN1 4778/4885HDAC1 119/4885
US-10130633-B2 Compounds AADAC, NAT1, CBR3 WNT3A 3816/4885PTPN1 4658/4885HDAC1 165/4885

“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.