SCHEMBL22060403

SCHEMBL22060403

Cc1ccccc1C(=O)Nc1nc(NCCc2ccccc2)nn1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 3/20 0.43
CDKN1A P38936 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 2/20 0.40
ALDH1A1 P00352 3/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
HPGD P15428 2/20 0.39
CRACR2A Q9BSW2 1/20 0.39
TEAD1 P28347 1/20 0.39
TEAD4 Q15561 1/20 0.39
TEAD2 Q15562 1/20 0.39
TEAD3 Q99594 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL22060343 0.92 KDR (0.45) NR3C1CDKN1ASMN1; SMN2MAPTMEN1
SCHEMBL22060149 0.89 ALDH1A1 (0.44) NR3C1CDKN1ASMN1; SMN2MAPTMEN1
SCHEMBL22060706 0.88 MAPK1 (0.51) NR3C1CDKN1ASMN1; SMN2MAPTMEN1
SCHEMBL21990727 0.87 CDKN1A (0.53) NR3C1CDKN1ASMN1; SMN2MAPTMEN1
SCHEMBL22060178 0.86 CDKN1A (0.49) NR3C1CDKN1ASMN1; SMN2MAPTMAPK1
SCHEMBL22060182 0.86 POLB (0.49) NR3C1CDKN1ASMN1; SMN2MAPTMEN1
SCHEMBL22060133 0.85 NR3C1 (0.48) NR3C1CDKN1ASMN1; SMN2LMNAHTT
SCHEMBL22060181 0.85 CDKN1A (0.44) NR3C1CDKN1ASMN1; SMN2MAPTMEN1
SCHEMBL22060151 0.85 ABCB1 (0.44) NR3C1CDKN1ASMN1; SMN2CRACR2APOLB
SCHEMBL22060183 0.84 MAPT (0.47) NR3C1CDKN1ASMN1; SMN2MAPTMAPK1

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-20210230126-A1 ASYMMETRIC TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME NYSNOBIO IRELAND DAC (IE) 2021-07-29 US disclosed
US-10889553-B2 Asymmetric triazole benzamide derivatives and the compositions and methods of treatment regarding the same NYSNOBIO IRELAND DAC (IE) 2021-01-12 US disclosed
US-20200172497-A1 ASYMMETRIC TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME NYSNOBIO IRELAND DAC (IE) 2020-06-04 US 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 (3 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-20200172497-A1 ASYMMETRIC TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME ATG7, PINK1, ADRM1 NR3C1 3027/4885CDKN1A 594/4885SMN1; SMN2 2359/4885
US-20210230126-A1 ASYMMETRIC TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME ATG7, PINK1, ADRM1 NR3C1 3027/4885CDKN1A 594/4885SMN1; SMN2 2359/4885
US-10889553-B2 Asymmetric triazole benzamide derivatives and the compositions and methods of treatment regarding the same ATG7, PINK1, ADRM1 NR3C1 3027/4885CDKN1A 594/4885SMN1; SMN2 2359/4885

“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.