SCHEMBL5203429

SCHEMBL5203429

Fc1ccc(NCc2ccccc2)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.56
RAB9A P51151 3/20 0.53
POLB P06746 1/20 0.53
HDAC4 P56524 1/20 0.52
MEF2D Q14814 1/20 0.52
ALDH1A1 P00352 2/20 0.49
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NPC1 O15118 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
IDO1 P14902 1/20 0.46
HDAC3 O15379 1/20 0.45
NCOR1 O75376 1/20 0.45
KCNH3 Q9ULD8 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
SCHEMBL11512276 0.85 HDAC1 (0.59) SHMT2RAB9APOLBALDH1A1HDAC1
SCHEMBL5396991 0.85 MEN1 (0.53) SHMT2RAB9APOLBHDAC4MEF2D
SCHEMBL7835892 0.82 RAB9A (0.57) RAB9APOLBALDH1A1LMNAL3MBTL1
SCHEMBL13054791 0.82 SMN1; SMN2 (0.46) ALDH1A1HDAC1HDAC8HDAC6LMNA
SCHEMBL9729001 0.82 SMN1; SMN2 (0.52) RAB9APOLBALDH1A1HDAC1HDAC8
SCHEMBL11935975 0.82 SHMT2 (0.57) SHMT2POLBHDAC4MEF2DALDH1A1
SCHEMBL9337417 0.82 SHMT2 (0.57) SHMT2RAB9APOLBHDAC4MEF2D
SCHEMBL10560340 0.82 SHMT2 (0.61) SHMT2RAB9APOLBHDAC4MEF2D
SCHEMBL23227889 0.81 ALDH1A1 (0.48) POLBALDH1A1HDAC1HDAC8HDAC6
SCHEMBL8773039 0.80 ALDH1A1 (0.74) SHMT2RAB9AALDH1A1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1384712-B1 Derivatives of N-((quinolinyl)oxy)-phenyl)-urea and N-((quinazolinyl)oxy)-phenyl)-urea with antitumor activity KIRIN BREWERY (JP) 2007-03-07 EP disclosed
US-20070027318-A1 Quinoline derivatives and quinazoline derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 2007-02-01 US disclosed
US-7169789-B2 Quinoline derivatives and quinazoline derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 2007-01-30 US disclosed
US-20040209905-A1 Quinoline derivatives and quinazoline derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 2004-10-21 US disclosed
US-6797823-B1 Quinoline derivatives and quinazoline derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 2004-09-28 US disclosed
EP-1384712-A1 Derivatives of N-((quinolinyl)oxy)-phenyl)-urea and N-((quinazolinyl)oxy)-phenyl)-urea with antitumor activity KIRIN BEER KABUSHIKI KAISHA (JP) 2004-01-28 EP disclosed
EP-1153920-B1 QUINOLINE DERIVATIVES AND QUINAZOLINE DERIVATIVES KIRIN BREWERY (JP) 2003-10-29 EP disclosed
EP-1153920-A1 QUINOLINE DERIVATIVES AND QUINAZOLINE DERIVATIVES KIRIN BEER KABUSHIKI KAISHA (JP) 2001-11-14 EP disclosed
EP-0401167-B1 Process for the preparation of titanocenes with o,o'-difluoro ligands CIBA GEIGY AG (CH) 1994-06-08 EP disclosed
EP-0598962-A1 Imidazole derivatives as calcium channel blockers NEUROSEARCH A/S (DK) 1994-06-01 EP disclosed
US-5296493-A Analgesics or antiischemics NEUROSEARCH A/S (DK) 1994-03-22 US disclosed
US-5075467-A Reacting organotitanium halide with lithium amide CIBA-GEIGY CORPORATION (US) 1991-12-24 US disclosed
EP-0401167-A2 Process for the preparation of titanocenes with o,o'-difluoro ligands CIBA-GEIGY AG (CH) 1990-12-05 EP disclosed
US-4152452-A N-BENZYLANILINE AND DERIVATIVES WILLIAM H. RORER, INC. (US) 1979-05-01 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-20070027318-A1 Quinoline derivatives and quinazoline derivatives CYTH3, NQO2, NRAS SHMT2 3301/4885RAB9A 139/4885POLB 2988/4885
US-20040209905-A1 Quinoline derivatives and quinazoline derivatives RABL3, NRAS, CYTH3 SHMT2 2974/4885RAB9A 189/4885POLB 2538/4885

“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.