SCHEMBL89000

SCHEMBL89000

[O-][S+]1CC(=S)Nc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
HSP90AA1 P07900 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
HK1 P19367 1/20 0.42
MAPK1 P28482 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42
GALK1 P51570 1/20 0.42
BLM P54132 1/20 0.42
HKDC1 Q2TB90 1/20 0.42
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
CCNB2 O95067 1/20 0.30
CDK1 P06493 1/20 0.30
CCNB1 P14635 1/20 0.30

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
SCHEMBL8853443 0.81 MEN1 (0.40) MEN1KMT2AKDM4ENPC1HSP90AA1
SCHEMBL88930 0.77 AHR (0.42) NPC1MAPTALDH1A1CCNB2CDK1
SCHEMBL342511 0.68 GAA (0.40) MEN1KMT2AKDM4ENPC1MAPT
SCHEMBL29610326 0.68 GAA (0.40) MEN1KMT2AKDM4ENPC1MAPT
SCHEMBL83412 0.67 ALOX15 (0.30)
SCHEMBL10353387 0.67 NPC1 (0.47) NPC1MAPTALDH1A1CCNB2CDK1
SCHEMBL30771770 0.66 GAA (0.39) MEN1KMT2AKDM4EMAPTALOX12
Hydrochloric Acid SCHEMBL9449441 0.65 MEN1 (0.31) MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL27353718 0.65 MEN1 (0.31) MEN1KMT2AALDH1A1
SCHEMBL4622490 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163773-B2 Organic compounds NOVARTIS AG (CH) 2012-04-24 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20100160305-A1 3, 4, 5 - Substituted Piperidine Compounds NOVARTIS AG (CH) 2010-06-24 US disclosed
US-20100029647-A1 3,4,(5)-SUBSTITUTED TETRAHYDROPHYRIDINES NOVARTIS AG (CH) 2010-02-04 US disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
US-20090233920-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-17 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 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 (5 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-20100029647-A1 3,4,(5)-SUBSTITUTED TETRAHYDROPHYRIDINES REN, PAH, ACE MEN1 1534/4885KMT2A 3027/4885KDM4E 1290/4885
US-20090233920-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 MEN1 2386/4885KMT2A 3192/4885KDM4E 1597/4885
US-20090192148-A1 Organic Compounds REN, ACE, AGTR1 MEN1 2336/4885KMT2A 3129/4885KDM4E 1650/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO MEN1 2792/4885KMT2A 3979/4885KDM4E 2265/4885
US-20100160305-A1 3, 4, 5 - Substituted Piperidine Compounds REN, ACE, PIGO MEN1 2834/4885KMT2A 2912/4885KDM4E 1011/4885

“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.