SCHEMBL1845700

SCHEMBL1845700

COc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
NPC1 O15118 3/20 0.58
TP53 P04637 1/20 0.58
PTPN1 P18031 1/20 0.55
CXCR1 P25024 3/20 0.54
CXCR2 P25025 3/20 0.54
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
LMNA P02545 2/20 0.52
KDM4E B2RXH2 1/20 0.52
P4HTM Q9NXG6 1/20 0.52
MAPT P10636 1/20 0.51
NAMPT P43490 1/20 0.51
TRPV1 Q8NER1 1/20 0.50
NNMT P40261 1/20 0.50
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49

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
SCHEMBL4619718 0.83 RAB9A (0.60) RAB9ASMN1; SMN2NPC1TP53KMT2A
SCHEMBL1844238 0.82 RAB9A (0.74) RAB9ASMN1; SMN2NPC1TP53KMT2A
SCHEMBL3788719 0.81 SMN1; SMN2 (0.64) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL5934095 0.80 RAB9A (0.54) RAB9ASMN1; SMN2NPC1TP53PTPN1
SCHEMBL3596711 0.80 RAB9A (0.62) RAB9ASMN1; SMN2NPC1PTPN1CXCR1
SCHEMBL23844169 0.79 LMNA (0.76) RAB9ASMN1; SMN2NPC1TP53KMT2A
SCHEMBL5934284 0.78 NPC1 (0.49) RAB9ASMN1; SMN2NPC1TP53KMT2A
SCHEMBL5934911 0.78 NPC1 (0.52) RAB9ASMN1; SMN2NPC1TP53PTPN1
SCHEMBL13989075 0.78 RAB9A (0.58) RAB9ASMN1; SMN2NPC1TP53KMT2A
SCHEMBL20812214 0.78 NNMT (0.60) NNMT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1318140-B9 NOVEL AMIDE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2014-05-21 EP disclosed
US-8198454-B2 Amide derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-06-12 US disclosed
EP-1318140-B1 NOVEL AMIDE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2011-05-18 EP disclosed
US-7855297-B2 Amide derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-12-21 US disclosed
US-20100041656-A1 Novel amide derivatives and medicinal use thereof NAKAMURA MITSUBARU 2010-02-18 US disclosed
US-20040138223-A1 Novel amide derivatives and medicinal use thereof ugs MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-07-15 US disclosed
EP-1318140-A1 NOVEL AMIDE DERIVATIVES AND MEDICINAL USE THEREOF UGS Mitsubishi Pharma Corporation (JP) 2003-06-11 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 (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-20100041656-A1 Novel amide derivatives and medicinal use thereof C5AR1, C5AR2, C3AR1 RAB9A 1166/4885SMN1; SMN2 1200/4885NPC1 3015/4885
US-20040138223-A1 Novel amide derivatives and medicinal use thereof ugs C5AR1, C5AR2, C1S RAB9A 1330/4885SMN1; SMN2 1561/4885NPC1 2771/4885

“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.