SCHEMBL19658802

SCHEMBL19658802

CCON(C)C(=O)c1ccc2ncc(-c3ccc(Cl)cc3)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.56
RAB9A P51151 3/20 0.56
HPGD P15428 9/20 0.55
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAPT P10636 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
APP P05067 2/20 0.42
CDH1 P12830 1/20 0.41
APC P25054 1/20 0.41
CTNNB1 P35222 1/20 0.41
TCF7L2 Q9NQB0 1/20 0.41
KDM4E B2RXH2 1/20 0.41
FGFR3 P22607 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
SCHEMBL14716252 0.90 HPGD (0.56) NPC1RAB9AHPGDSMN1; SMN2KMT2A
SCHEMBL27981647 0.80 HPGD (0.67) NPC1RAB9AHPGDSMN1; SMN2KMT2A
SCHEMBL27963658 0.80 HPGD (0.64) NPC1RAB9AHPGDSMN1; SMN2KMT2A
SCHEMBL401620 0.78 RAB9A (0.62) NPC1RAB9AHPGDSMN1; SMN2KMT2A
SCHEMBL14716207 0.72 ALDH1A1 (0.41) NPC1RAB9AHPGDCYP3A4CYP2C9
SCHEMBL20467519 0.71 HPGD (1.00) HPGD
SCHEMBL25045589 0.70 HPGD (0.57) NPC1RAB9AHPGDSMN1; SMN2KMT2A
SCHEMBL30965453 0.70 HPGD (0.57) NPC1RAB9AHPGDSMN1; SMN2KMT2A
SCHEMBL30771431 0.69 RAB9A (0.74) NPC1RAB9AHPGDSMN1; SMN2KMT2A
SCHEMBL29180365 0.69 RAB9A (0.74) NPC1RAB9AHPGDSMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200390763-A1 BENZENESULFONAMIDE DERIVATIVES OF QUINOXALINE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN METHODS FOR TREATING CANCER NEUPHARMA, INC. 2020-12-17 US disclosed
US-20170340630-A1 BENZENESULFONAMIDE DERIVATIVES OF QUINOXALINE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN METHODS FOR TREATING CANCER NEUPHARMA, INC. 2017-11-30 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 (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-20200390763-A1 BENZENESULFONAMIDE DERIVATIVES OF QUINOXALINE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN METHODS FOR TREATING CANCER PDXK, BRAF, CHEK1 NPC1 4412/4885RAB9A 1846/4885HPGD 650/4885
US-20170340630-A1 BENZENESULFONAMIDE DERIVATIVES OF QUINOXALINE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN METHODS FOR TREATING CANCER PDXK, BRAF, CHEK1 NPC1 4412/4885RAB9A 1846/4885HPGD 650/4885

“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.