Sugi Predict

Sugi Predict / Compounds / SCHEMBL4399460

SCHEMBL4399460

SCHEMBL4399460

C=C(CN1CCNCC1)CN(CCOc1ccccc1C#N)C(=O)Nc1ccc(OC)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 3/20 0.43
▸ MAPT P10636 3/20 0.41
▸ ADRB1 P08588 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ HTR1A P08908 1/20 0.39
▸ HTR7 P34969 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ PKM P14618 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4392185 0.96 KCNA5 (0.42) KCNA5MAPTADRB1NPC1RAB9A
SCHEMBL4399190 0.92 CASR (0.41) MAPTALDH1A1PKMTSHRSMN1; SMN2
SCHEMBL4394724 0.91 HTR2C (0.38) KCNA5NPC1RAB9AALDH1A1KDM4E
SCHEMBL4401811 0.89 CASR (0.42) MAPTALDH1A1PKMTSHRHTT
SCHEMBL4394783 0.88 CASR (0.42) MAPTALDH1A1TSHRKMT2AHTR2C
SCHEMBL4394368 0.86 CASR (0.50) MAPTNPC1RAB9AALDH1A1TSHR
SCHEMBL4396661 0.85 MAPT (0.40) MAPTNPC1RAB9AHTR1AHTR7
SCHEMBL4399209 0.83 EPHX2 (0.37) MAPTALDH1A1KDM4EKMT2AHTR2C
SCHEMBL14472757 0.83 CASR (0.35) KCNA5ADRB1NPC1RAB9ATSHR
SCHEMBL4394742 0.83 CASR (0.53) MAPTNPC1RAB9AALDH1A1TSHR

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-7605261-B2 Urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use AMGEN INC. (US) 2009-10-20 — — US disclosed
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use AVENTIS PHARMA S.A. (FR) 2007-07-26 — — US disclosed
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use AVENTIS PHARMA S.A. (FR) 2007-07-26 — — US disclosed
US-20040053925-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use PROSKELIA SAS (FR) 2004-03-18 — — 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 (2 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-20040053925-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use HRH4, HRH2, RPS2 KCNA5 827/4885MAPT 4227/4885ADRB1 478/4885
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use RPS2, NOX5, PRMT5 KCNA5 603/4885MAPT 3398/4885ADRB1 402/4885

“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.