SCHEMBL11054945

SCHEMBL11054945

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

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.81
LMNA P02545 3/20 0.81
TSHR P16473 1/20 0.81
HTT P42858 1/20 0.81
NLRP3 Q96P20 1/20 0.81
MEN1 O00255 2/20 0.79
KMT2A Q03164 2/20 0.79
SAE1 Q9UBE0 1/20 0.79
UBA2 Q9UBT2 1/20 0.79
KDM4E B2RXH2 1/20 0.79
POLB P06746 1/20 0.79
PKM P14618 1/20 0.79
MAPK1 P28482 1/20 0.79
RAB9A P51151 1/20 0.79
IL18 Q14116 1/20 0.79
ALDH1A1 P00352 2/20 0.73
CA12 O43570 2/20 0.71
CA1 P00915 2/20 0.71
CA2 P00918 2/20 0.71
CA9 Q16790 2/20 0.71

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
SCHEMBL11056656 0.92 MAPT (0.75) MAPTLMNATSHRHTTNLRP3
SCHEMBL4929006 0.90 MAPT (0.69) MAPTLMNATSHRHTTNLRP3
SCHEMBL11896323 0.90 MAPT (0.70) MAPTLMNATSHRHTTNLRP3
SCHEMBL19708131 0.90 IDO1 (0.71) MAPTLMNATSHRHTTNLRP3
SCHEMBL4116856 0.90 MAPT (1.00) MAPTLMNATSHRHTTNLRP3
SCHEMBL11054936 0.90 MAPT (0.69) MAPTLMNATSHRHTTNLRP3
SCHEMBL6125249 0.88 SAE1 (0.69) MAPTLMNATSHRHTTNLRP3
SCHEMBL11896322 0.87 MAPT (0.65) MAPTLMNATSHRHTTNLRP3
SCHEMBL15132984 0.87 MAPT (0.65) MAPTLMNATSHRHTTNLRP3
SCHEMBL22103804 0.86 MAPT (0.63) MAPTLMNATSHRHTTNLRP3

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-20240317727-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER DUKE UNIVERSITY 2024-09-26 US disclosed
CN-114213286-B Synthetic method of urea derivative 湖北文理学院 2022-12-30 CN disclosed
WO-2017214505-A1 CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2017-12-14 WO disclosed
US-4444863-A UREA COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1984-04-24 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-20240317727-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER HSF1, HSP90AB1, HSP90AA1 MAPT 2167/4885LMNA 1978/4885TSHR 4433/4885

“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.