SCHEMBL9314355

SCHEMBL9314355

CNC(=O)c1cccnc1SC

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.66
HPGD P15428 1/20 0.63
RAB9A P51151 1/20 0.61
MEN1 O00255 1/20 0.60
NPC1 O15118 1/20 0.59
LMNA P02545 1/20 0.56
ATM Q13315 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
GAA P10253 1/20 0.54

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
SCHEMBL31339222 0.85 KMT2A (0.64) KMT2AHPGDRAB9AMEN1NPC1
SCHEMBL9314349 0.85 KMT2A (0.64) KMT2AHPGDRAB9AMEN1NPC1
SCHEMBL13485305 0.82 HPGD (0.67) KMT2AHPGDRAB9AMEN1NPC1
SCHEMBL8284968 0.80 KMT2A (0.62) KMT2AHPGDRAB9AMEN1NPC1
SCHEMBL355357 0.80 ALDH1A1 (0.59) KMT2ARAB9ANPC1TDP1GAA
SCHEMBL3717527 0.79 KMT2A (0.72) KMT2ARAB9AMEN1NPC1LMNA
Hydrochloric Acid SCHEMBL1375604 0.79 ALDH1A1 (0.62) KMT2ARAB9ANPC1TDP1GAA
SCHEMBL3077349 0.79 KMT2A (0.56) KMT2AHPGDRAB9AMEN1NPC1
SCHEMBL1327237 0.79 KMT2A (0.56) KMT2AHPGDRAB9AMEN1NPC1
SCHEMBL934289 0.79 KMT2A (0.56) KMT2AHPGDRAB9AMEN1NPC1

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
US-5286721-A Antimicrobial agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-02-15 US claimed
EP-0506982-A1 1-AZABICYCLO 3.2.0]HEPT-2-ENE-2-CARBOXYLIC ACID COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-10-07 EP claimed
WO-1992006978-A1 1-AZABICYCLO[3.2.0]HEPT-2-ENE-2-CARBOXYLIC ACID COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-04-30 WO claimed
EP-3471729-B1 ISOXAZOLMETHYLTHIO-, THIENYLMETHYLTHIO- AND THIAZOMETHYLTHIO-DERIVATIVES FOR USE IN THE TREATMENT OF CANCER; VIRAL INFECTIONS; THROMBOTIC EVENTS OR PLATELET AGGREGATION UNIV RUTGERS (US) 2023-02-22 EP disclosed
US-7666869-B2 to provide an aliphatic nitrogen-containing 5-membered ring compound represented by the formula [I]:** Image-1wherein symbols in the formula have the following meanings;A: CH2 or S , antidiabetic agents MITSUBISHI TANABE PHARMA CORP. (JP) 2010-02-23 US disclosed
US-20080153821-A1 Nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. 2008-06-26 US disclosed
US-7332487-B2 Nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2008-02-19 US disclosed
US-5286721-A Antimicrobial agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-02-15 US disclosed
EP-0506982-A1 1-AZABICYCLO 3.2.0]HEPT-2-ENE-2-CARBOXYLIC ACID COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-10-07 EP disclosed
WO-1992006978-A1 1-AZABICYCLO[3.2.0]HEPT-2-ENE-2-CARBOXYLIC ACID COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-04-30 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-20080153821-A1 Nitrogen-containing 5-membered ring compound ALK, SCO2, NPR1 KMT2A 1395/4885HPGD 3702/4885RAB9A 4247/4885

“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.