SCHEMBL2292095

SCHEMBL2292095

O=C(O)c1ccc(CCl)c([N+](=O)[O-])c1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.64
TSHR P16473 3/20 0.58
LMNA P02545 1/20 0.58
HCAR3 P49019 11/20 0.54
APEX1 P27695 1/20 0.54
PDK1 Q15118 1/20 0.54
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.50

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
SCHEMBL1483517 0.88 CASP6 (0.66) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL30481076 0.88 CASP6 (0.66) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL8092214 0.87 CASP6 (0.64) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL6341472 0.85 CASP6 (0.66) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL20757 0.85 PDK1 (0.68) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL18833531 0.83 CASP6 (0.64) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL1251308 0.83 CASP6 (0.64) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL40979 0.83 CASP6 (0.64) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL7402680 0.83 CASP6 (0.58) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL6180268 0.82 HCAR3 (0.64) CASP6TSHRLMNAHCAR3APEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018151678-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-08-23 WO disclosed
US-8003228-B2 Highly photoluminescent organic compounds, synthesis thereof, and use thereof in electroluminescent devices STMICROELECTRONICS S.R.L. (IT) 2011-08-23 US disclosed
US-8003228-B2 Highly photoluminescent organic compounds, synthesis thereof, and use thereof in electroluminescent devices STMICROELECTRONICS S.R.L. (IT) 2011-08-23 US disclosed
US-8003228-B2 Highly photoluminescent organic compounds, synthesis thereof, and use thereof in electroluminescent devices STMICROELECTRONICS S.R.L. (IT) 2011-08-23 US disclosed
US-20090322212-A1 SYNTHESIS OF NEW ORGANIC MATERIAL FOR POLYMERIC LIGHT EMITTING DIODE STMICROELECTRONICS S.R.L. (IT) 2009-12-31 US disclosed
US-20090322212-A1 SYNTHESIS OF NEW ORGANIC MATERIAL FOR POLYMERIC LIGHT EMITTING DIODE STMICROELECTRONICS S.R.L. (IT) 2009-12-31 US disclosed
US-20090322212-A1 SYNTHESIS OF NEW ORGANIC MATERIAL FOR POLYMERIC LIGHT EMITTING DIODE STMICROELECTRONICS S.R.L. (IT) 2009-12-31 US disclosed
US-20090105305-A1 Therapeutic Agents - 550 ASTRAZENECA AB (SE) 2009-04-23 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-20090105305-A1 Therapeutic Agents - 550 FABP4, GPR119, FASN CASP6 1602/4885TSHR 4393/4885LMNA 2831/4885
US-20090322212-A1 SYNTHESIS OF NEW ORGANIC MATERIAL FOR POLYMERIC LIGHT EMITTING DIODE CCND2, MAP1LC3C, CCNL2 CASP6 4355/4885TSHR 3941/4885LMNA 849/4885

“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.