SCHEMBL22060183

SCHEMBL22060183

Cc1ccccc1C(=O)Nc1nc(NCc2ccccc2Cl)nn1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
TDP1 Q9NUW8 1/20 0.44
NR3C1 P04150 3/20 0.42
TRPV1 Q8NER1 1/20 0.41
CDKN1A P38936 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
P2RY1 P47900 1/20 0.39
MAPK1 P28482 1/20 0.39
CHRNA7 P36544 1/20 0.39
TP53 P04637 1/20 0.39
BRD4 O60885 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CRACR2A Q9BSW2 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
SCHEMBL22060741 0.90 CDKN1A (0.52) MAPTCDKN1AMAPK1TP53
SCHEMBL22060716 0.89 LMNA (0.46) TDP1NR3C1CDKN1ASCN2ASCN10A
SCHEMBL22060133 0.88 NR3C1 (0.48) NR3C1CDKN1AP2RY1SMN1; SMN2
SCHEMBL22060343 0.88 KDR (0.45) MAPTTDP1NR3C1CDKN1AMAPK1
SCHEMBL21990727 0.86 CDKN1A (0.53) MAPTTDP1NR3C1CDKN1AMAPK1
SCHEMBL22060151 0.86 ABCB1 (0.44) NR3C1TRPV1CDKN1AP2RY1SMN1; SMN2
SCHEMBL22060178 0.85 CDKN1A (0.49) MAPTNR3C1CDKN1AMAPK1SMN1; SMN2
SCHEMBL22060403 0.84 NR3C1 (0.43) MAPTTDP1NR3C1CDKN1AMAPK1
SCHEMBL23746410 0.83 CDKN1A (0.47) MAPTTDP1NR3C1CDKN1AMAPK1
SCHEMBL22060181 0.83 CDKN1A (0.44) MAPTNR3C1CDKN1ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210244712-A1 METHODS FOR TREATING PATIENTS WITH CANCER HAVING DEFECTS IN CYCLIN D REGULATION NYSNOBIO IRELAND DAC (IE) 2021-08-12 US disclosed
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 (4 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-20210244712-A1 METHODS FOR TREATING PATIENTS WITH CANCER HAVING DEFECTS IN CYCLIN D REGULATION TP53, RB1, CDK1 MAPT 3369/4885TDP1 854/4885NR3C1 1610/4885
US-20200172497-A1 ASYMMETRIC TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME ATG7, PINK1, ADRM1 MAPT 1670/4885TDP1 1095/4885NR3C1 3027/4885
US-20210230126-A1 ASYMMETRIC TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME ATG7, PINK1, ADRM1 MAPT 1670/4885TDP1 1095/4885NR3C1 3027/4885
US-10889553-B2 Asymmetric triazole benzamide derivatives and the compositions and methods of treatment regarding the same ATG7, PINK1, ADRM1 MAPT 1670/4885TDP1 1095/4885NR3C1 3027/4885

“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.