SCHEMBL4313385

SCHEMBL4313385

Cc1nc2cccc(-c3ccccn3)c2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.45
METAP1 P53582 4/20 0.45
LMNA P02545 4/20 0.45
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
METAP2 P50579 3/20 0.45
PKM P14618 3/20 0.45
HPGD P15428 1/20 0.45
MTOR P42345 1/20 0.45
KDM4E B2RXH2 5/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
HTT P42858 2/20 0.44
CCR1 P32246 2/20 0.44
CCR5 P51681 2/20 0.44
CCR8 P51685 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
TP53 P04637 1/20 0.44
ALPL P05186 1/20 0.44
HSP90AA1 P07900 1/20 0.44
ALPI P09923 1/20 0.44

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
SCHEMBL27837532 0.82 METAP2 (0.63) NPC1METAP1LMNARAB9ASMN1; SMN2
SCHEMBL10429391 0.82 NPC1 (0.42) NPC1METAP1LMNARAB9ASMN1; SMN2
SCHEMBL13504644 0.78 NPC1 (0.50) NPC1METAP1LMNARAB9ASMN1; SMN2
SCHEMBL6883476 0.78 ADORA3 (0.53) NPC1RAB9ASMN1; SMN2HPGDKDM4E
SCHEMBL1989677 0.78 NPC1 (0.40) NPC1METAP1LMNARAB9ASMN1; SMN2
SCHEMBL13469300 0.77 PARP1 (0.53) NPC1RAB9ASMN1; SMN2PKMHPGD
SCHEMBL7749016 0.76 EDNRA (0.39) NPC1METAP1LMNARAB9ASMN1; SMN2
SCHEMBL15450894 0.74 KDM4E (0.51) NPC1METAP1LMNARAB9ASMN1; SMN2
SCHEMBL6368182 0.73 PARP1 (0.47) NPC1RAB9ASMN1; SMN2HPGDHTT
SCHEMBL30427456 0.73 NPC1 (0.59) NPC1METAP1LMNARAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101035787-B Method for enantioselective preparation of sulphoxide derivatives SIDEM PHARMA 2013-03-27 CN disclosed
US-7528251-B2 Method for enantioselective preparation of sulphoxide derivatives SIDEM PHARMA SA (LU) 2009-05-05 US disclosed
EP-1802620-B1 METHOD FOR ENANTIOSELECTIVE PREPARATION OF SULPHOXIDE DERIVATIVES SIDEM PHARMA S A (LU) 2008-12-17 EP disclosed
US-20070299261-A1 Method For Enantioselective Preparation Of Sulphoxide Derivatives SIDEM PHARMA SA (LU) 2007-12-27 US disclosed
CN-101035787-A Method for enantioselective preparation of sulphoxide derivatives SIDEM PHARMA (LU) 2007-09-12 CN disclosed
EP-1802620-A1 METHOD FOR ENANTIOSELECTIVE PREPARATION OF SULPHOXIDE DERIVATIVES Sidem Pharma (LU) 2007-07-04 EP disclosed
WO-2006037894-A1 METHOD FOR ENANTIOSELECTIVE PREPARATION OF SULPHOXIDE DERIVATIVES SIDEM PHARMA S.A. (LU) 2006-04-13 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-20070299261-A1 Method For Enantioselective Preparation Of Sulphoxide Derivatives TST, ADH1A, ADH1C NPC1 4784/4885METAP1 1713/4885LMNA 4312/4885

“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.