SCHEMBL4555285

SCHEMBL4555285

Clc1nsnc1N1CCN(c2ccccn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLD1 Q13393 1/20 0.49
ALDH1A1 P00352 6/20 0.48
NPSR1 Q6W5P4 2/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
KDM4E B2RXH2 6/20 0.47
HSD17B10 Q99714 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
SMO Q99835 1/20 0.45

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
SCHEMBL4555652 0.81 LMNA (0.44) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL29857922 0.78 PLD1 (0.73) PLD1ALDH1A1MAPTKMT2AMEN1
SCHEMBL21353591 0.78
SCHEMBL15800694 0.78 PLD1 (0.73) PLD1ALDH1A1MAPTKMT2AMEN1
SCHEMBL4555931 0.78 ALDH1A1 (0.42) ALDH1A1MAPTKMT2AMEN1HTT
SCHEMBL4555805 0.78 MAPT (0.48) ALDH1A1MAPTKMT2ALMNAHTT
SCHEMBL19186695 0.73 PLD1 (0.61) PLD1ALDH1A1NPSR1MAPTKMT2A
SCHEMBL5525542 0.72 ALDH1A1 (0.56) PLD1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL38660361 0.71 CA12 (0.47) PLD1ALDH1A1MAPTKMT2AMEN1
SCHEMBL16334608 0.71 ALDH1A1 (0.51) PLD1ALDH1A1NPSR1MAPTKMT2A

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
CN-103497148-A Hydroxylamine compounds and methods of their use OTHERA HOLDING INC 2014-01-08 CN disclosed
EP-2620429-A1 Hydroxylamine compounds and methods of their use Colby Pharmaceutical Company (US) 2013-07-31 EP disclosed
CN-101687786-B Hydroxylamine compounds and methods of use thereof OTHERA HOLDING INC 2013-05-22 CN disclosed
CN-101687786-A Hydroxylamine compounds and methods of use thereof OTHERA HOLDING INC 2010-03-31 CN disclosed
EP-2125716-A2 HYDROXYLAMINE COMPOUNDS AND METHODS OF THEIR USE Othera Holding, Inc. (US) 2009-12-02 EP disclosed
EP-2120942-A2 DRUG RESISTANCE REVERSAL IN NEOPLASTIC DISEASE Othera Holding, Inc. (US) 2009-11-25 EP disclosed
US-20080280890-A1 HYDROXYLAMINE COMPOUNDS AND METHODS OF THEIR USE COLBY PHARMACEUTICAL COMPANY 2008-11-13 US disclosed
WO-2008103613-A2 HYDROXYLAMINE COMPOUNDS AND METHODS OF THEIR USE OTHERA HOLDING, INC. (US) 2008-08-28 WO disclosed
WO-2008101195-A2 DRUG RESISTANCE REVERSAL IN NEOPLASTIC DISEASE OTHERA HOLDING, INC. (US) 2008-08-21 WO disclosed
US-20080200405-A1 Drug Resistance Reversal In Neoplastic Disease COLBY PHARMACEUTICAL COMPANY 2008-08-21 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 (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-20080280890-A1 HYDROXYLAMINE COMPOUNDS AND METHODS OF THEIR USE HDGF, HMOX1, HMOX2 PLD1 1934/4885ALDH1A1 161/4885NPSR1 2555/4885
US-20080200405-A1 Drug Resistance Reversal In Neoplastic Disease VHL, ABCC1, SLC11A2 PLD1 1774/4885ALDH1A1 92/4885NPSR1 2898/4885

“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.