SCHEMBL3097672

SCHEMBL3097672

CCN(CC)C(=O)C(Cc1ccc(NC(=O)c2cnccn2)cc1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.53
SMN1; SMN2 Q16637 8/20 0.53
NPC1 O15118 7/20 0.53
KMT2A Q03164 3/20 0.53
MAPT P10636 3/20 0.53
TP53 P04637 2/20 0.53
MEN1 O00255 2/20 0.53
USP2 O75604 1/20 0.53
POLB P06746 2/20 0.51
ALDH1A1 P00352 4/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
GAA P10253 2/20 0.45
LMNA P02545 3/20 0.43
HPGD P15428 3/20 0.42
TSHR P16473 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 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
SCHEMBL3097370 0.92 NPC1 (0.51) RAB9ASMN1; SMN2NPC1MAPTTP53
Hydrochloric Acid SCHEMBL3101058 0.91 NPC1 (0.50) RAB9ASMN1; SMN2NPC1MAPTTP53
SCHEMBL3097207 0.89 LMNA (0.47) RAB9ASMN1; SMN2NPC1KMT2AMAPT
Hydrochloric Acid SCHEMBL3097618 0.87 SMN1; SMN2 (0.52) RAB9ASMN1; SMN2NPC1KMT2AMAPT
SCHEMBL15000185 0.86 LARS1 (0.41) RAB9ASMN1; SMN2NPC1KMT2AMEN1
Hydrochloric Acid SCHEMBL3089133 0.86 SMN1; SMN2 (0.45) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL3088655 0.86 VCP (0.43) LARS1
SCHEMBL3093901 0.85 MMP9 (0.46) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL3102970 0.85 MMP9 (0.46) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL3086202 0.84 SMO (0.46) RAB9ASMN1; SMN2NPC1KMT2AMAPT

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-8461209-B2 Malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-11 US disclosed
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-09 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-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF REN, AGTR2, AGTR1 RAB9A 826/4885SMN1; SMN2 2844/4885NPC1 3306/4885

“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.