SCHEMBL12297882

SCHEMBL12297882

COC(=O)/C=C1\S/C(=N/c2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C1=O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 5/20 0.54
▸ LMNA P02545 2/20 0.53
▸ TSHR P16473 1/20 0.53
▸ HTT P42858 1/20 0.46
▸ MEN1 O00255 5/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ MAPT P10636 5/20 0.44
▸ PIK3CA P42336 1/20 0.44
▸ PIK3CB P42338 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ PLA2G1B P04054 1/20 0.43
▸ ATG4B Q9Y4P1 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ RAB9A P51151 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ HPGD P15428 1/20 0.41

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
SCHEMBL13950213 0.80 KDM4E (0.48) FAAHLMNATSHRHTTMEN1
SCHEMBL15324324 0.80 KDM4E (0.48) FAAHLMNATSHRHTTMEN1
SCHEMBL10667719 0.78 FAAH (0.71) FAAHMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL10667710 0.78 FAAH (0.71) FAAHMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL10668048 0.76 FAAH (0.56) FAAHLMNAMEN1KMT2AMAPT
SCHEMBL10666307 0.74 AURKA (0.58) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL10666312 0.74 AURKA (0.58) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL3887237 0.73 FAAH (0.80) FAAHLMNAMEN1KMT2AMAPT
SCHEMBL3887240 0.73 FAAH (0.80) FAAHLMNAMEN1KMT2AMAPT
SCHEMBL17295253 0.72 MEN1 (0.67) FAAHLMNAMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8906937-B2 Flavivirus inhibitors and methods of their use GEORGETOWN UNIVERSITY (US) 2014-12-09 — — US disclosed
US-8906937-B2 Flavivirus inhibitors and methods of their use GEORGETOWN UNIVERSITY (US) 2014-12-09 — — US disclosed
US-20140038962-A1 Flavivirus Inhibitors and Methods of Their Use GEORGETOWN UNIVERSITY (US) 2014-02-06 — — US disclosed
US-20140038962-A1 Flavivirus Inhibitors and Methods of Their Use GEORGETOWN UNIVERSITY (US) 2014-02-06 — — US disclosed
US-8563580-B2 Flavivirus inhibitors and methods for their use GEORGETOWN UNIVERSITY (US) 2013-10-22 — — US disclosed
US-8563580-B2 Flavivirus inhibitors and methods for their use GEORGETOWN UNIVERSITY (US) 2013-10-22 — — US disclosed
US-20110224207-A1 FLAVIVIRUS INHIBITORS AND METHODS FOR THEIR USE GEORGETOWN UNIVERSITY (US) 2011-09-15 — — US disclosed
US-20110224207-A1 FLAVIVIRUS INHIBITORS AND METHODS FOR THEIR USE GEORGETOWN UNIVERSITY (US) 2011-09-15 — — US disclosed
WO-2010039538-A2 FLAVIVIRUS INHIBITORS AND METHODS FOR THEIR USE GEORGETOWN UNIVERSITY (US) 2010-04-08 — — 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 (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-20110224207-A1 FLAVIVIRUS INHIBITORS AND METHODS FOR THEIR USE SERPINB1, SPINT2, MME FAAH 558/4885LMNA 2214/4885TSHR 4596/4885
US-20140038962-A1 Flavivirus Inhibitors and Methods of Their Use SERPINB1, SPINT2, MME FAAH 656/4885LMNA 2268/4885TSHR 4631/4885

“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.

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