SCHEMBL7518699

SCHEMBL7518699

O=C(NC1=CC(=O)SC1)Nc1ccc(Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
MEN1 O00255 7/20 0.47
KMT2A Q03164 7/20 0.47
RAB9A P51151 6/20 0.47
NPC1 O15118 4/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
TNIK Q9UKE5 1/20 0.43
HTT P42858 1/20 0.43
EPHX1 P07099 1/20 0.43
CNR1 P21554 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
SCHEMBL8210609 0.85 RAB9A (0.50) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL7521962 0.85 ALDH1A1 (0.51) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL7529461 0.85 KMT2A (0.49) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL7524755 0.84 SMN1; SMN2 (0.55) MAOAMAOBMEN1KMT2ARAB9A
SCHEMBL7515807 0.83 GRM5 (0.48) MAPTLMNA
SCHEMBL7517281 0.80 KMT2A (0.62) MEN1KMT2AMAPTCA12CA1
SCHEMBL7518438 0.78 EPHX1 (0.61) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL7518356 0.77 HTT (0.54) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL8993463 0.76 MAOA (0.83) MAOAMAOBMEN1KMT2ARAB9A
SCHEMBL7525033 0.75 RAB9A (0.56) MEN1KMT2ARAB9ANPC1MAPT

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-20020058694-A1 Ureido and thioureido derivatives of 4-amino-2(5H)-furanones and 4-amino-2(5H)-thiophenones as antitumor agents ROCHE DIAGNOSTICS GMBH 2002-05-16 US disclosed
US-6333346-B1 AMINOFURANONEUREAS OR THIOUREAS 4-AMINO-2(5H)-THIOPHENONES AS ANTITUMOR AGENTS ROCHE DIAGNOSTICS GMBH (DE) 2001-12-25 US disclosed
EP-1009747-A1 UREIDO AND THIOUREIDO DERIVATIVES OF 4-AMINO-2(5H)-FURANONES AND 4-AMINO-2(5H)-THIOPHENONES AS ANTITUMOR AGENTS Roche Diagnostics GmbH (DE) 2000-06-21 EP disclosed
WO-1999012917-A1 UREIDO AND THIOUREIDO DERIVATIVES OF 4-AMINO-2(5H)-FURANONES AND 4-AMINO-2(5H)-THIOPHENONES AS ANTITUMOR AGENTS ROCHE DIAGNOSTICS GMBH (DE) 1999-03-18 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 (1 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-20020058694-A1 Ureido and thioureido derivatives of 4-amino-2(5H)-furanones and 4-amino-2(5H)-thiophenones as antitumor agents UTS2R, SRD5A2, SRD5A1 MAOA 2199/4885MAOB 2227/4885MEN1 3390/4885

“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.