SCHEMBL2857372

SCHEMBL2857372

COc1cccc2c(C(F)(F)F)cc(N3CCNCC3)nc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.49
HTR2C P28335 1/20 0.48
ADRB1 P08588 2/20 0.44
ADRB2 P07550 1/20 0.44
CYP2C19 P33261 2/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
HTR3A P46098 1/20 0.44
HTR6 P50406 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
EZH2 Q15910 1/20 0.44
HTR1A P08908 1/20 0.43
HTR7 P34969 1/20 0.43
ALK Q9UM73 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL13135655 0.87 EZH2 (0.57) CYP2C19DRD2DRD3HTR3AEZH2
SCHEMBL2710541 0.80 ADRB2 (0.61) NCF1HTR2CADRB1ADRB2CYP2C19
SCHEMBL2848141 0.76 NCF1 (0.52) NCF1HTR2CADRB1ADRB2CYP2C19
SCHEMBL6767019 0.76 ADRB1 (0.54) HTR2CADRB1CYP2C19HTR3EHTR3B
SCHEMBL30122456 0.75 KDM4E (0.49) LMNAMAPTKDM4EMEN1KMT2A
SCHEMBL7080293 0.75 KDM4E (0.49) MAPTKDM4E
SCHEMBL2860108 0.75 KDM4E (0.49) LMNAMAPTKDM4EMEN1KMT2A
SCHEMBL2857515 0.74 KDM4E (0.45) MAPTKDM4EMEN1KMT2A
SCHEMBL13666132 0.73 HCAR2 (0.53) ADRB1CYP2C19HTR3EHTR3BDRD2
SCHEMBL24715737 0.72 KDM4E (0.49) HTR1AKDM4E

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-7790725-B2 Thiazolidine derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-07 US disclosed
US-20070259880-A1 THIAZOLIDINE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORPORATION (JP) 2007-11-08 US disclosed
US-20040259883-A1 Thiazolidine derivative and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-12-23 US disclosed
EP-1426366-A1 THIAZOLIDINE DERIVATIVE AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2004-06-09 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-20070259880-A1 THIAZOLIDINE DERIVATIVES AND MEDICINAL USE THEREOF DPP4, DPP7, DPP3 NCF1 3500/4885HTR2C 1043/4885ADRB1 562/4885
US-20040259883-A1 Thiazolidine derivative and medicinal use thereof DPP4, DPP7, DPP3 NCF1 3051/4885HTR2C 1188/4885ADRB1 284/4885

“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.