SCHEMBL8397397

SCHEMBL8397397

CNC(=N)Nc1cccc(C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.56
CYP1A2 P05177 3/20 0.55
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
RXFP1 Q9HBX9 1/20 0.51
SAE1 Q9UBE0 1/20 0.50
UBA2 Q9UBT2 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MAPT P10636 3/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47

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
SCHEMBL6422898 0.90 HSD17B10 (0.62) HSD17B10CYP1A2KMT2AMEN1RXFP1
SCHEMBL13302660 0.85 NPSR1 (0.57) HSD17B10CYP1A2KMT2AMEN1RXFP1
SCHEMBL1741887 0.80 CYP1A2 (0.59) HSD17B10CYP1A2KMT2AMEN1RXFP1
SCHEMBL14390573 0.79 ALDH1A1 (0.58) KMT2AMEN1SMN1; SMN2RAB9AMAPT
Hydrochloric Acid SCHEMBL28340523 0.79 CYP1A2 (0.57) HSD17B10CYP1A2KMT2AMEN1RXFP1
SCHEMBL5923263 0.79 SAE1 (0.56) HSD17B10CYP1A2KMT2AMEN1SAE1
SCHEMBL14432349 0.78 HSD17B10 (0.58) HSD17B10CYP1A2KMT2AMEN1RXFP1
SCHEMBL1740852 0.78 CYP1A2 (0.67) HSD17B10CYP1A2KMT2AMEN1RXFP1
SCHEMBL6727515 0.78 FADS1 (0.50) HSD17B10CYP1A2KMT2AMEN1RXFP1
SCHEMBL14868738 0.78 HSD17B10 (0.49) HSD17B10CYP1A2KMT2AMEN1RXFP1

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-10351522-B2 Sulfonamide derivative and pharmaceutically acceptable acid addition salt thereof UNIVERSITY OF TSUKUBA (JP) 2019-07-16 US disclosed
US-20180179151-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALT THEREOF UNIVERSITY OF TSUKUBA (JP) 2018-06-28 US disclosed
EP-0918460-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-02 EP disclosed
WO-1998004131-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-02-05 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-20180179151-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALT THEREOF HCRTR2, HCRTR1, NPSR1 HSD17B10 1326/4885CYP1A2 2040/4885KMT2A 234/4885
US-10351522-B2 Sulfonamide derivative and pharmaceutically acceptable acid addition salt thereof HCRTR2, HCRTR1, NPSR1 HSD17B10 1326/4885CYP1A2 2040/4885KMT2A 234/4885

“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.