SCHEMBL11896323

SCHEMBL11896323

N#Cc1ccc(NC(=O)Nc2ccc(N)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.70
RAB9A P51151 2/20 0.70
LMNA P02545 3/20 0.69
TSHR P16473 1/20 0.69
HTT P42858 1/20 0.69
NLRP3 Q96P20 1/20 0.69
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
SAE1 Q9UBE0 1/20 0.67
UBA2 Q9UBT2 1/20 0.67
KDM4E B2RXH2 1/20 0.67
POLB P06746 1/20 0.67
PKM P14618 1/20 0.67
MAPK1 P28482 1/20 0.67
IL18 Q14116 1/20 0.67
CA12 O43570 3/20 0.66
CA1 P00915 3/20 0.66
CA2 P00918 3/20 0.66
CA9 Q16790 3/20 0.66
ALDH1A1 P00352 2/20 0.63

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
SCHEMBL11054945 0.90 MAPT (0.81) MAPTRAB9ALMNATSHRHTT
SCHEMBL20941549 0.86 SAE1 (0.54) MAPTRAB9ALMNATSHRHTT
SCHEMBL20379456 0.84 MEN1 (0.73) MAPTRAB9ALMNAMEN1KMT2A
SCHEMBL8772924 0.84 RAB9A (1.00) MAPTRAB9ALMNATSHRMEN1
SCHEMBL24987217 0.84 MAPT (0.80) MAPTRAB9ALMNATSHRHTT
SCHEMBL8982693 0.83 CXCR2 (0.67) MAPTRAB9ALMNATSHRHTT
SCHEMBL11056656 0.83 MAPT (0.75) MAPTRAB9ALMNATSHRHTT
SCHEMBL11896322 0.82 MAPT (0.65) MAPTRAB9ALMNATSHRHTT
SCHEMBL4929006 0.81 MAPT (0.69) MAPTRAB9ALMNATSHRHTT
SCHEMBL4116856 0.81 MAPT (1.00) MAPTRAB9ALMNATSHRHTT

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 1 patent. 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

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 2294/4885LMNA 2594/4885

“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.