SCHEMBL2848141

SCHEMBL2848141

COc1ccc2nc(N3CCNCC3)cc(C(F)(F)F)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.52
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
NPC1 O15118 1/20 0.51
GLA P06280 1/20 0.51
GAA P10253 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PDE10A Q9Y233 1/20 0.50
ADRB1 P08588 2/20 0.47
HTR1A P08908 1/20 0.45
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ADRB2 P07550 2/20 0.45
HTR2C P28335 2/20 0.45
ADRA2A P08913 1/20 0.45
AXL P30530 1/20 0.45

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
SCHEMBL13135654 0.87 EZH2 (0.55) KDM4EALDH1A1HPGDNPC1GLA
SCHEMBL3972824 0.80 KDM4E (0.46) KDM4EALDH1A1HPGDNPC1GLA
SCHEMBL29230134 0.80 RAD52 (0.52) NCF1SMN1; SMN2PDE10AADRB1HTR1A
SCHEMBL30944944 0.80 RAD52 (0.52) NCF1SMN1; SMN2PDE10AADRB1HTR1A
Hydrochloric Acid SCHEMBL3975821 0.79 KDM4E (0.45) KDM4EALDH1A1HPGDNPC1GLA
SCHEMBL2708405 0.79 ADRB2 (0.72) NCF1PDE10AADRB1HTR1AHTR1D
SCHEMBL2857372 0.76 NCF1 (0.49) NCF1KDM4EADRB1HTR1AMEN1
SCHEMBL5912588 0.76 HRH3 (0.66) NCF1KDM4EALDH1A1ADRB1HTR1A
SCHEMBL30345639 0.74 HTR3A (0.64) NCF1ADRB1HTR1AHTR1DHTR1B
SCHEMBL14922741 0.74 HTR3A (0.64) NCF1ADRB1HTR1AHTR1DHTR1B

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 3500/4885KDM4E 1080/4885ALDH1A1 148/4885
US-20040259883-A1 Thiazolidine derivative and medicinal use thereof DPP4, DPP7, DPP3 NCF1 3051/4885KDM4E 1384/4885ALDH1A1 31/4885

“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.