SCHEMBL641427

SCHEMBL641427

O=C1CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)N1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.63
MAPT P10636 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 1/20 0.50
HPN P05981 1/20 0.49
SCN2A Q99250 1/20 0.47
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
POLB P06746 2/20 0.42
GAA P10253 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ABHD16A O95870 1/20 0.41
BCL2A1 Q16548 1/20 0.41

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
SCHEMBL4231433 0.84 PTPN1 (0.63) PTPN1MAPTMEN1KMT2ASCN2A
SCHEMBL1732116 0.78 PTPN1 (1.00) PTPN1MAPTMEN1KMT2AKDM4E
SCHEMBL1731402 0.77 PTPN1 (0.96) PTPN1MAPTMEN1KMT2AKDM4E
SCHEMBL1688153 0.77 PTPN1 (0.66) PTPN1MAPTMEN1KMT2AGAA
SCHEMBL643464 0.77 PTPN1 (0.66) PTPN1MAPTMEN1KMT2AKDM4E
SCHEMBL1731203 0.77 PTPN1 (0.66) PTPN1
SCHEMBL6684475 0.77 PTPN1 (0.66) PTPN1MEN1KMT2AALDH1A1POLB
SCHEMBL6690418 0.75 PTPN1 (0.73) PTPN1ALDH1A1TSHRHTT
SCHEMBL1730330 0.75 CA12 (0.49) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL5114118 0.74 PTPN1 (0.43) PTPN1MAPTMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2057173-B1 AMIDES AS SPHINGOMYELINE INHIBITORS NOVARTIS AG (CH) 2014-02-26 EP disclosed
US-8404731-B2 Substituted imidazole derivatives, compositions, and methods of use as PTPase inhibitors TRANSTECH PHARMA, INC. (US) 2013-03-26 US disclosed
US-20120196906-A1 Substituted Imidazole Derivatives, Compositions, and Methods of Use as PTPase Inhibitors TRANSTECH PHARMA, INC. (US) 2012-08-02 US disclosed
US-8119617-B2 aSMase inhibitors NOVARTIS AG (CH) 2012-02-21 US disclosed
US-7723369-B2 Substituted imidazole derivatives, compositions, and methods of use as PTPase inhibitors TRANSTECH PHARMA, INC. (US) 2010-05-25 US disclosed
US-20100113331-A1 Substituted Imidazole Derivatives, Compositions, and Methods of Use as PtPase Inhibitors TRANSTECH PHARMA, INC. (US) 2010-05-06 US disclosed
US-20100022482-A1 aSMase inhibitors NOVARTIS AG (CH) 2010-01-28 US disclosed
EP-2057173-A1 AMIDES AS SPHINGOMYELINE INHIBITORS Novartis AG (CH) 2009-05-13 EP disclosed
WO-2008022771-A1 AMIDES AS SPHINGOMYELINE INHIBITORS NOVARTIS AG (CH) 2008-02-28 WO disclosed
US-20070191385-A1 Substituted imidazole derivatives, compositions, and methods of use as PTPase inhibitors VTV THERAPEUTICS LLC 2007-08-16 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 (4 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-20100022482-A1 aSMase inhibitors SMPD1, SMPD3, SMPD2 PTPN1 2277/4885MAPT 3537/4885MEN1 2730/4885
US-20070191385-A1 Substituted imidazole derivatives, compositions, and methods of use as PTPase inhibitors PTP4A1, PTPRJ, PTP4A2 PTPN1 16/4885MAPT 3556/4885MEN1 4542/4885
US-20100113331-A1 Substituted Imidazole Derivatives, Compositions, and Methods of Use as PtPase Inhibitors PTP4A1, PTPRJ, PTP4A2 PTPN1 16/4885MAPT 3556/4885MEN1 4542/4885
US-20120196906-A1 Substituted Imidazole Derivatives, Compositions, and Methods of Use as PTPase Inhibitors PTP4A1, PTPRJ, PTP4A2 PTPN1 16/4885MAPT 3556/4885MEN1 4542/4885

“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.