SCHEMBL2835618

SCHEMBL2835618

COC(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.94

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.94
DEGS1 O15121 1/20 0.69
SMN1; SMN2 Q16637 5/20 0.67
NPC1 O15118 2/20 0.67
RAB9A P51151 2/20 0.67
LMNA P02545 2/20 0.67
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
ATM Q13315 1/20 0.67
KDM4E B2RXH2 1/20 0.67
MAPT P10636 1/20 0.67
PLAU P00749 2/20 0.64
TRPV1 Q8NER1 1/20 0.63
ALDH1A1 P00352 1/20 0.63
HTT P42858 1/20 0.63
POLB P06746 2/20 0.62
STAT3 P40763 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
NR1H4 Q96RI1 1/20 0.61

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
SCHEMBL22223650 1.00 PTPN1 (0.94) PTPN1DEGS1SMN1; SMN2NPC1RAB9A
SCHEMBL29611669 1.00 PTPN1 (0.94) PTPN1DEGS1SMN1; SMN2NPC1RAB9A
SCHEMBL62930 0.92 PTPN1 (0.90) PTPN1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL2835923 0.90 PTPN1 (0.81) PTPN1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL8660366 0.88 NPC1 (0.83) PTPN1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL6263820 0.88 NPC1 (0.83) PTPN1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL4359849 0.88 PTPN1 (0.73) PTPN1DEGS1SMN1; SMN2RAB9ALMNA
SCHEMBL5943954 0.87 PTPN1 (0.76) PTPN1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL22223646 0.86 PTPN1 (0.76) PTPN1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL1105491 0.86 TSHR (0.75) PTPN1SMN1; SMN2RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3049388-B1 NUCLEATING AGENT FOR THERMOPLASTIC POLYMER COMPOSITION MILLIKEN & CO (US) 2019-08-07 EP disclosed
US-20100168101-A1 OXINDOLE HYDRAZIDE MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2010-07-01 US disclosed
US-7696231-B2 Oxindole hydrazide modulators of protein tyrosine phosphatases (PTPs) LABORATOIRES SERONO SA (CH) 2010-04-13 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-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
US-20050043388-A1 Oxindole hydrazide modulators of protein tyrosine phosphatases (ptps) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. 2005-02-24 US disclosed
US-6586475-B1 5-chloro-N-(2-N,N-diethylamino)ethyl)-2- methoxy-4-(1-naphthoylamino)benzamide and prodrugs, used for prevention of neurodegenarative diseases such as Alzheimer's disease TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-07-01 US disclosed
EP-1218336-A2 MELANIN CONCENTRATING HORMONE ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2002-07-03 EP disclosed
EP-1132376-A1 BETA-AMYLOID PROTEIN PRODUCTION/SECRETION INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2001-09-12 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 (3 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-20050043388-A1 Oxindole hydrazide modulators of protein tyrosine phosphatases (ptps) PTPRO, PTPRE, PTPRZ1 PTPN1 16/4885DEGS1 3784/4885SMN1; SMN2 4885/4885
US-20070173498-A1 Melanin concentrating hormone antagonist MC1R, MCHR1, MCHR2 PTPN1 285/4885DEGS1 4436/4885SMN1; SMN2 3652/4885
US-20100168101-A1 OXINDOLE HYDRAZIDE MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) PTPRO, PTPRE, PTPRZ1 PTPN1 16/4885DEGS1 3825/4885SMN1; SMN2 4885/4885

“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.