SCHEMBL3153124

SCHEMBL3153124

O=C(NCCN1CCN(Cc2ccccn2)CC1)c1ccc(S(=O)(=O)N(Oc2ccc(Br)cc2)c2cccc(F)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.44
NPC1 O15118 2/20 0.42
PLD2 O14939 1/20 0.42
PLD1 Q13393 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.39
DRD4 P21917 1/20 0.39
HTT P42858 1/20 0.39
CHRM4 P08173 1/20 0.39
TP53 P04637 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
SCHEMBL3145296 0.92 RAB9A (0.48) RAB9ANPC1KMT2AGAAPKM
SCHEMBL3145428 0.90 DRD4 (0.51) PLD2PLD1KMT2AMEN1DRD4
SCHEMBL3138062 0.89 PLD2 (0.44) PLD2PLD1DRD4
SCHEMBL3139288 0.84 DRD4 (0.53) PLD2PLD1DRD4
SCHEMBL3153494 0.82 HTR1A (0.48) PLD2PLD1DRD4
SCHEMBL3145161 0.82 DRD2 (0.49) TSHRDRD4
SCHEMBL3148959 0.82 DRD4 (0.52) DRD4
SCHEMBL3149616 0.81 DRD2 (0.47) DRD4HTT
SCHEMBL3153114 0.79 CCR2 (0.51) RAB9ANPC1KMT2AMEN1PKM
SCHEMBL3154562 0.77 DRD4 (0.54) DRD4

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
EP-2074083-B1 NEW SULFONAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT (HU) 2013-06-19 EP disclosed
US-20100075978-A1 SULFONAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2010-03-25 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 (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-20100075978-A1 SULFONAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS BDKRB1, BDKRB2, TRPV1 RAB9A 2536/4885NPC1 3621/4885PLD2 1470/4885

“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.