SCHEMBL22060693

SCHEMBL22060693

Cc1ccccc1C(=O)Nc1nc(NC(=O)c2ccccc2C)n(-c2ccccc2Cl)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.47
DHODH Q02127 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
HTT P42858 2/20 0.43
ALOX15 P16050 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
POLB P06746 3/20 0.43
HPGD P15428 2/20 0.43
CDKN1A P38936 1/20 0.42
TYK2 P29597 1/20 0.42
WNT3A P56704 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
KCNMA1 Q12791 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
SCHEMBL22060140 0.86 MAPK1 (0.47) MAPK1NPC1RAB9AHTTRXFP1
SCHEMBL20110246 0.83 MAPK1 (0.56) MAPK1NPC1RAB9AHTTALOX15
SCHEMBL19668480 0.83 MAPK1 (0.69) MAPK1NPC1RAB9AHTTRXFP1
SCHEMBL22060137 0.81 MAPK1 (0.54) MAPK1DHODHNPC1RAB9AHTT
SCHEMBL22060130 0.81 MAPK1 (0.59) MAPK1NPC1RAB9AHTTRXFP1
SCHEMBL22060735 0.80 KMT2A (0.48) MAPK1NPC1RAB9AHTTRXFP1
SCHEMBL20110229 0.80 MAPK1 (0.57) MAPK1HTTRXFP1POLBHPGD
SCHEMBL20110241 0.79 MAPK1 (0.56) MAPK1HTTRXFP1POLBCDKN1A
SCHEMBL20110191 0.79 MAPK1 (0.79) MAPK1HTTPOLBCDKN1AL3MBTL1
SCHEMBL20110192 0.79 MAPK1 (0.79) MAPK1HTTPOLBCDKN1AL3MBTL1

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 MAPK1 723/4885DHODH 1541/4885NPC1 3769/4885
US-20200172497-A1 ASYMMETRIC TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME ATG7, PINK1, ADRM1 MAPK1 2259/4885DHODH 3445/4885NPC1 1820/4885
US-20210230126-A1 ASYMMETRIC TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME ATG7, PINK1, ADRM1 MAPK1 2259/4885DHODH 3445/4885NPC1 1820/4885
US-10889553-B2 Asymmetric triazole benzamide derivatives and the compositions and methods of treatment regarding the same ATG7, PINK1, ADRM1 MAPK1 2259/4885DHODH 3445/4885NPC1 1820/4885

“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.