SCHEMBL137068

SCHEMBL137068

BrC1COCCN1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
AKR1C3 P42330 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 1/20 0.37
PIK3C3 Q8NEB9 6/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NR3C2 P08235 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AR P10275 1/20 0.35
ATM Q13315 1/20 0.35
ALDH1A1 P00352 1/20 0.35
FAAH O00519 1/20 0.34
MGLL Q99685 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
PKM P14618 1/20 0.34
TSHR P16473 1/20 0.34
MT-CO2 P00403 1/20 0.34
ALOX5 P09917 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
SCHEMBL28025174 0.80 CHRNB2 (0.41) PIK3C3MAPT
SCHEMBL18110383 0.80 NR3C2 (0.33) LMNANR3C2
SCHEMBL28024741 0.78 HTR3A (0.33) LMNAKDM4EPIK3C3ALDH1A1
SCHEMBL31051683 0.78 LMNA (0.47) LMNAAKR1C3CYP2C9CYP2C19KDM4E
SCHEMBL27878581 0.78 LMNA (0.47) LMNAAKR1C3CYP2C9CYP2C19KDM4E
SCHEMBL27320448 0.78 PIK3C3 (0.54) LMNAPIK3C3
SCHEMBL31051684 0.78 LMNA (0.47) LMNAAKR1C3CYP2C9CYP2C19KDM4E
SCHEMBL6536162 0.78 LMNA (0.47) LMNAAKR1C3CYP2C9CYP2C19KDM4E
SCHEMBL10880845 0.78 LMNA (0.47) LMNAAKR1C3CYP2C9CYP2C19KDM4E
SCHEMBL27318560 0.78 PIK3C3 (0.54) LMNAPIK3C3

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-20120059165-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI (FR) 2012-03-08 US disclosed
EP-2406254-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI (FR) 2012-01-18 EP disclosed
WO-2010104193-A3 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-11-18 WO disclosed
WO-2010104193-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-16 WO 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-20120059165-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF HRH4, HNMT, CYP3A4 LMNA 2935/4885AKR1C3 994/4885CYP2C9 143/4885

“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.