SCHEMBL5458464

SCHEMBL5458464

CCc1ccc(NC(=O)Nc2ccc(N3CCNCC3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.56
ALDH1A1 P00352 3/20 0.56
POLB P06746 2/20 0.55
REV1 Q9UBZ9 3/20 0.54
TDP1 Q9NUW8 3/20 0.54
CTDSP1 Q9GZU7 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
RAB9A P51151 2/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPK1 P28482 2/20 0.51
GAA P10253 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HSP90AA1 P07900 1/20 0.51
HSP90AB1 P08238 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
ALOX12 P18054 1/20 0.51
HTT P42858 1/20 0.51
GFER P55789 1/20 0.51

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
SCHEMBL12313402 0.84 POLB (0.62) MAPTALDH1A1POLBREV1TDP1
SCHEMBL300437 0.83 ADRB1 (0.62) ALDH1A1RAB9AKDM4ETSHRHSD17B10
SCHEMBL5464818 0.83 HTT (0.59) MAPTALDH1A1POLBRAB9AMEN1
Acetic Acid Methyl Ester SCHEMBL27846699 0.83 ADRB1 (0.51) MAPTALDH1A1POLBREV1TDP1
SCHEMBL5462780 0.83 MAPT (0.62) MAPTALDH1A1POLBTDP1RAB9A
SCHEMBL13853439 0.82 MAPT (0.51) MAPTALDH1A1RAB9AMEN1KMT2A
SCHEMBL5460936 0.82 MAPT (0.68) MAPTALDH1A1POLBREV1TDP1
SCHEMBL5467369 0.82 MAPKAPK2 (0.48) MAPTALDH1A1RXFP1RAB9AMEN1
Hydrochloric Acid SCHEMBL11555537 0.82 ADRB1 (0.60) ALDH1A1RAB9AKDM4ENPC1
Hydrochloric Acid SCHEMBL27739620 0.82 ADRB1 (0.60) ALDH1A1RAB9AKDM4ENPC1

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-20070249620-A1 Urea Derivative SANKYO COMPANY, LIMITED (JP) 2007-10-25 US disclosed
EP-1764360-A1 UREA DERIVATIVE Sankyo Company, Limited (JP) 2007-03-21 EP 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-20070249620-A1 Urea Derivative UGP2, SLC14A1, DGAT1 MAPT 758/4885ALDH1A1 731/4885POLB 4280/4885

“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.