SCHEMBL17434765

SCHEMBL17434765

NC(=S)OCCc1ccccc1.NC(O)=S

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
TDP1 Q9NUW8 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
GLA P06280 1/20 0.49
CYP3A4 P08684 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
HIF1A Q16665 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HCAR2 Q8TDS4 1/20 0.47
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
AKR1B10 O60218 1/20 0.45
AKR1B1 P15121 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
SCHEMBL6049237 0.98 LMNA (0.52) LMNANPC1RAB9ATDP1SMN1; SMN2
SCHEMBL20717977 0.86 LMNA (0.68) LMNANPC1RAB9ATDP1SMN1; SMN2
SCHEMBL8768547 0.81 HCAR2 (0.52) LMNANPC1RAB9ATDP1SMN1; SMN2
SCHEMBL2773503 0.79 CA12 (0.59) LMNATDP1L3MBTL1ALDH1A1TSHR
Benzene SCHEMBL29116606 0.79 CA12 (0.59) LMNATDP1L3MBTL1ALDH1A1TSHR
SCHEMBL16024410 0.78 LMNA (0.45) LMNANPC1RAB9ATDP1SMN1; SMN2
SCHEMBL1253445 0.78 LMNA (0.45) LMNANPC1RAB9ATDP1SMN1; SMN2
Phenylethyl Carbamate SCHEMBL111316 0.78 LMNA (0.79) LMNANPC1RAB9ATDP1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL23878452 0.78 CA12 (0.57) LMNATDP1L3MBTL1ALDH1A1TSHR
SCHEMBL448070 0.78 CA12 (0.57) LMNATDP1L3MBTL1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9949961-B2 Agent for the prophylaxis and/or treatment of neoplastic diseases ROZIEV RAHIMDZHAN (RU) 2018-04-24 US disclosed
US-20160038472-A1 AGENT FOR THE PROPHYLAXIS AND/OR TREATMENT OF NEOPLASTIC DISEASES TIATSEN LTD (RU) 2016-02-11 US disclosed
EP-2974726-A1 AGENT FOR THE PROPHYLAXIS AND/OR TREATMENT OF NEOPLASTIC DISEASES Tiacen Ltd (RU) 2016-01-20 EP 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-20160038472-A1 AGENT FOR THE PROPHYLAXIS AND/OR TREATMENT OF NEOPLASTIC DISEASES VHL, BRCA1, TSG101 LMNA 2630/4885NPC1 158/4885RAB9A 70/4885

“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.