SCHEMBL5583040

SCHEMBL5583040

O=C(O)/C=C/c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.64
DEGS1 O15121 1/20 0.63
PKM P14618 1/20 0.59
CA12 O43570 1/20 0.59
CA2 P00918 1/20 0.59
CA9 Q16790 1/20 0.59
TRPV1 Q8NER1 1/20 0.58
POLB P06746 2/20 0.57
STAT3 P40763 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
NR1H4 Q96RI1 1/20 0.57
MAPT P10636 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
MEN1 O00255 1/20 0.56
PSMD14 O00487 1/20 0.56
RECQL P46063 1/20 0.56
CACNA1B Q00975 1/20 0.56
APBA1 Q02410 1/20 0.56
KMT2A Q03164 1/20 0.56

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
SCHEMBL5583041 1.00 PTPN1 (0.64) PTPN1DEGS1PKMCA12CA2
SCHEMBL1233002 0.91 PKM (0.70) PTPN1PKMCA12CA2CA9
SCHEMBL1233005 0.91 PKM (0.70) PTPN1PKMCA12CA2CA9
SCHEMBL12425742 0.91 PKM (0.70) PTPN1PKMCA12CA2CA9
SCHEMBL5586352 0.89 PTPN1 (0.60) PTPN1DEGS1CA12CA2CA9
SCHEMBL5586353 0.89 PTPN1 (0.60) PTPN1DEGS1CA12CA2CA9
SCHEMBL7948225 0.84 MITF (0.64) PTPN1PKMPOLBMEN1KMT2A
SCHEMBL165794 0.82 HDAC2 (0.75) PTPN1PKMCA12CA2CA9
SCHEMBL165795 0.82 HDAC2 (0.75) PTPN1PKMCA12CA2CA9
SCHEMBL5583017 0.82 PTPN1 (0.59) PTPN1DEGS1CA12CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070173498-A1 Melanin concentrating hormone antagonist KATO KANEYOSHI 2007-07-26 US disclosed
US-20070173498-A1 Melanin concentrating hormone antagonist KATO KANEYOSHI 2007-07-26 US disclosed
US-20070173498-A1 Melanin concentrating hormone antagonist KATO KANEYOSHI 2007-07-26 US disclosed
US-7115750-B1 Melanin concentrating hormone antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-10-03 US disclosed
EP-1218336-A2 MELANIN CONCENTRATING HORMONE ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2002-07-03 EP disclosed
WO-2001021577-A2 MELANIN CONCENTRATING HORMONE ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-03-29 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-20070173498-A1 Melanin concentrating hormone antagonist MC1R, MCHR1, MCHR2 PTPN1 285/4885DEGS1 4436/4885PKM 3358/4885

“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.