SCHEMBL6495658

SCHEMBL6495658

CCOc1nc2ccc(Br)nc2n1Cc1ccc(-c2ccccc2)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
ADORA2A P29274 2/20 0.37
ADORA1 P30542 1/20 0.37
TP53 P04637 1/20 0.36
NAE1 Q13564 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP2C9 P11712 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
F2RL3 Q96RI0 1/20 0.33
CREBBP Q92793 1/20 0.33
USP2 O75604 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP2D6 P10635 1/20 0.33
ABCB11 O95342 1/20 0.32

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
SCHEMBL6501589 0.85 SMN1; SMN2 (0.41) SMN1; SMN2TSHRHTTNAE1CYP2C9
SCHEMBL6298594 0.84 ALDH1A1 (0.40) SMN1; SMN2HTTMEN1KMT2AKDM4E
SCHEMBL6492218 0.76 PPARG (0.48) PPARG
SCHEMBL6300044 0.73 PPARG (0.36) ADORA2AADORA1MEN1KMT2AKDM4E
SCHEMBL6489317 0.70 MTNR1A (0.42) SMN1; SMN2HTTMEN1KMT2ACYP2C9
SCHEMBL6298685 0.69 MAPT (0.42) SMN1; SMN2TSHRTP53MEN1KMT2A
SCHEMBL6300418 0.69 NPC1 (0.45) SMN1; SMN2TP53MEN1KMT2AKDM4E
SCHEMBL6300933 0.69 ALDH1A1 (0.39) SMN1; SMN2HTTMEN1KMT2AKDM4E
SCHEMBL6305658 0.69 ALDH1A1 (0.45) SMN1; SMN2HTTMEN1KMT2AKDM4E
SCHEMBL6301874 0.69 PPARG (0.43) SMN1; SMN2TSHRHTTTP53MEN1

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-6890934-B2 Sulfonamide compounds and uses thereof as medicines FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-05-10 US disclosed
US-20030171396-A1 Sulfonamide compounds and uses thereof as medicines FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-09-11 US disclosed
US-6573274-B1 Treatment of the diseases curable based on a hypoglycemic action, and the diseases curable based on a cGMP-PDE inhibitory action, a smooth muscle relaxing action, a bronchodilating action, a vasodilating action, a smooth muscle FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-06-03 US disclosed
EP-1136492-A1 SULFONAMIDE COMPOUNDS AND USES THEREOF AS MEDICINES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-09-26 EP 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 (1 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-20030171396-A1 Sulfonamide compounds and uses thereof as medicines PDE2A, PDE3A, PDE5A SMN1; SMN2 325/4885TSHR 2673/4885HTT 4147/4885

“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.