SCHEMBL3460997

SCHEMBL3460997

Nc1ccc(NC(=O)Nc2ccncc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.76
RAB9A P51151 2/20 0.76
MDM2 Q00987 1/20 0.76
KMT2A Q03164 6/20 0.67
MEN1 O00255 5/20 0.67
TAAR1 Q96RJ0 2/20 0.67
POLB P06746 3/20 0.65
RAD52 P43351 1/20 0.61
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA9 Q16790 1/20 0.58
LMNA P02545 3/20 0.54
SMARCA2 P51531 1/20 0.54
SMARCA4 P51532 1/20 0.54
PKM P14618 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
JAK2 O60674 1/20 0.53
TYK2 P29597 1/20 0.53
GAA P10253 1/20 0.52

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
SCHEMBL31668740 0.89 MDM2 (0.95) MAPTRAB9AMDM2KMT2AMEN1
SCHEMBL8772924 0.87 RAB9A (1.00) MAPTRAB9AMDM2KMT2AMEN1
SCHEMBL10020286 0.87 MDM2 (1.00) MAPTRAB9AMDM2KMT2AMEN1
SCHEMBL23999548 0.83 MDM2 (0.83) MAPTRAB9AMDM2KMT2AMEN1
SCHEMBL11747002 0.81 NAMPT (0.73)
SCHEMBL3093559 0.81 GAA (0.81) MAPTKMT2AMEN1POLBCA12
SCHEMBL11613305 0.81 POLB (0.87) MAPTKMT2AMEN1POLBCA12
SCHEMBL3462289 0.81 MDM2 (0.70) MAPTRAB9AMDM2KMT2AMEN1
SCHEMBL7849600 0.80 RAB9A (0.71) MAPTRAB9AKMT2AMEN1TAAR1
SCHEMBL4917143 0.80 KMT2A (1.00) MAPTRAB9AMDM2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120196884-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORPORATION (FI) 2012-08-02 US disclosed
US-20120196884-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORPORATION (FI) 2012-08-02 US disclosed
US-20120196884-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORPORATION (FI) 2012-08-02 US disclosed
WO-2010146236-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORP. (FI) 2010-12-23 WO disclosed
WO-2010146236-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORP. (FI) 2010-12-23 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 (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-20120196884-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES ITGA1, ITGB1, ITGA2B MAPT 2831/4885RAB9A 2294/4885MDM2 4407/4885

“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.