SCHEMBL2833360

SCHEMBL2833360

COC(=O)c1ccc(NC(=O)c2ccc(C#N)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.65
RAB9A P51151 4/20 0.65
ATM Q13315 1/20 0.65
MLYCD O95822 1/20 0.62
PTPN1 P18031 1/20 0.61
POLB P06746 1/20 0.60
RXFP1 Q9HBX9 1/20 0.60
PLAU P00749 1/20 0.58
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
ALDH1A1 P00352 2/20 0.57
TP53 P04637 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
PKM P14618 1/20 0.57
HPGD P15428 1/20 0.57
MAPK1 P28482 1/20 0.57
NAMPT P43490 2/20 0.56
PTPN11 Q06124 1/20 0.56
PSMD14 O00487 1/20 0.56
CACNA1B Q00975 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
SCHEMBL31311144 1.00 NPC1 (0.65) NPC1RAB9AATMMLYCDPTPN1
SCHEMBL6263516 0.88 MLYCD (0.76) NPC1RAB9AMLYCDPOLBPLAU
SCHEMBL9337665 0.88 MLYCD (0.76) NPC1RAB9AMLYCDPOLBPLAU
SCHEMBL25314204 0.87 NPC1 (0.57) NPC1RAB9AATMPTPN1POLB
SCHEMBL7393 0.87 CA1 (0.57) POLBRXFP1ALDH1A1NAMPTPTPN11
SCHEMBL6263820 0.87 NPC1 (0.83) NPC1RAB9AATMPTPN1MEN1
SCHEMBL8660366 0.87 NPC1 (0.83) NPC1RAB9AATMPTPN1MEN1
SCHEMBL6801256 0.86 NPC1 (0.76) NPC1RAB9AMLYCDRXFP1PLAU
SCHEMBL7281985 0.86 NPC1 (0.76) NPC1RAB9AMLYCDRXFP1PLAU
SCHEMBL2836025 0.85 SMN1; SMN2 (0.70) NPC1RAB9AMLYCDPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20050043388-A1 Oxindole hydrazide modulators of protein tyrosine phosphatases (ptps) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. 2005-02-24 US disclosed
EP-1439834-A1 OXINDOLE HYDRAZIDE MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-07-28 EP disclosed
WO-2003037328-A1 OXINDOLE HYDRAZIDE MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2003-05-08 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-20050043388-A1 Oxindole hydrazide modulators of protein tyrosine phosphatases (ptps) PTPRO, PTPRE, PTPRZ1 NPC1 1600/4885RAB9A 3219/4885ATM 1328/4885
US-20100168101-A1 OXINDOLE HYDRAZIDE MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) PTPRO, PTPRE, PTPRZ1 NPC1 1625/4885RAB9A 3161/4885ATM 1335/4885

“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.