Sugi Predict

Sugi Predict / Compounds / SCHEMBL4400774

SCHEMBL4400774

SCHEMBL4400774

C=C(CN(CCC(c1ccccc1)c1ccccc1)C(=O)NCCc1ccccc1)CN(C(=O)NCCc1ccccc1)[C@@H]1CCCC[C@@H]1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ TAAR1 Q96RJ0 4/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ EPHX2 P34913 2/20 0.37
▸ EPHX1 P07099 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CCR5 P51681 2/20 0.35
▸ KDM1A O60341 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ MMP1 P03956 2/20 0.34
▸ MMP2 P08253 2/20 0.34
▸ MMP3 P08254 2/20 0.34
▸ GAA P10253 1/20 0.34

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
SCHEMBL4392968 1.00 NPC1 (0.39) NPC1RAB9ATAAR1ALDH1A1KMT2A
SCHEMBL4401034 0.90 CCR5 (0.36) KMT2AMEN1CCR5
SCHEMBL4396578 0.90 CCR5 (0.36) KMT2AMEN1CCR5
SCHEMBL4393788 0.80 CCR5 (0.47) ALDH1A1SMN1; SMN2CCR5
SCHEMBL4400561 0.80 CCR5 (0.47) ALDH1A1SMN1; SMN2CCR5
SCHEMBL4393251 0.80 CASR (0.40) NPC1RAB9AALDH1A1CCR5LMNA
SCHEMBL4392169 0.80 CASR (0.40) NPC1RAB9AALDH1A1CCR5LMNA
SCHEMBL4393261 0.78 CASR (0.43) ALDH1A1KMT2AMEN1CCR5LMNA
SCHEMBL4396974 0.78 CASR (0.43) ALDH1A1KMT2AMEN1CCR5LMNA
SCHEMBL4394374 0.76 CASR (0.53) ALDH1A1KMT2AMEN1TP53LMNA

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 3 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-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 NPC1 1317/4885RAB9A 3571/4885TAAR1 1443/4885
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use RPS2, NOX5, PRMT5 NPC1 2068/4885RAB9A 2740/4885TAAR1 1614/4885

“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.