SCHEMBL7589855

SCHEMBL7589855

O=c1[nH]ccnc1SCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
ALDH1A1 P00352 3/20 0.51
CYP2C9 P11712 1/20 0.51
CDC7 O00311 2/20 0.49
DBF4 Q9UBU7 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ABL1 P00519 1/20 0.48
RIN1 Q13671 1/20 0.48
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
PKM P14618 1/20 0.46
DAO P14920 3/20 0.46
TAAR1 Q96RJ0 1/20 0.45
KDM6B O15054 1/20 0.43
KDM4A O75164 1/20 0.43
KDM4D Q6B0I6 1/20 0.43
HIF1AN Q9NWT6 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
KDM2A Q9Y2K7 1/20 0.43

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
SCHEMBL942676 0.86 RAB9A (0.52) LMNAALDH1A1CYP2C9HSD17B10L3MBTL1
SCHEMBL229404 0.76 HDAC1 (0.53) LMNAALDH1A1CDC7DBF4ABL1
Hydrochloric Acid SCHEMBL5155818 0.75 HDAC1 (0.52) LMNAALDH1A1CDC7DBF4ABL1
SCHEMBL12144898 0.73 CDC7 (0.50) LMNACDC7DBF4DAOKDM6B
SCHEMBL942486 0.73 NPC1 (0.45) LMNAALDH1A1HSD17B10DAOTAAR1
SCHEMBL12144894 0.73 DAO (0.45) LMNAALDH1A1CDC7DBF4MEN1
SCHEMBL8539114 0.72 MTOR (0.46) ALDH1A1CYP2C9CDC7DBF4MEN1
SCHEMBL7618263 0.71 TAAR1 (0.58) LMNAALDH1A1CYP2C9KMT2AHSD17B10
SCHEMBL8883167 0.71 ALDH1A1 (0.59) ALDH1A1CYP2C9CDC7DBF4MEN1
SCHEMBL12144892 0.71 DAO (0.39) ALDH1A1CDC7DBF4MEN1KMT2A

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
WO-2009109259-A1 PYRAZINONE DERIVATIVES AS INSULIN SECRETION STIMULATORS, METHODS FOR OBTAINING THEM AND USE THEREOF FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2009-09-11 WO disclosed
US-6413911-B1 REACTING A SULFONYL ISOCYANATE WITH A 2-AMINO-1,3,5-TRIAZINE OR 2-AMINOPYRIMIDINE, OR REACTING A SULFONAMIDE WITH A PHENYL CARBAMATE OR ISOCYANATE OF -1,3,5-TRIAZINE OR PYRIDINE BASF AKTIENGESELLSCHAFT (DE) 2002-07-02 US disclosed
US-20020049321-A1 Herbicidal sulfonylureas, their preparation and use MAYER HORST (DE) 2002-04-25 US disclosed
US-6320046-B1 A 2-AMINO-1,3,5-TRIAZINE AS CHEMICAL INTERMEDIATE; HIGH SELECTIVITY IN SENSITIVE CROPS BASF AKTIENGESELLSCHAFT (DE) 2001-11-20 US disclosed
EP-0666708-B1 HERBICIDAL COMPOSITIONS CONTAINING TRIAZOLINONES FMC CORP (US) 2000-10-04 EP disclosed
US-6043196-A Herbicidal sulfonylureas, their preparation and use BASF AKTIENGESELLSCHAFT (DE) 2000-03-28 US disclosed
EP-0666708-A4 HERBICIDAL COMPOSITIONS CONTAINING TRIAZOLINONES. 1995-08-23 EP disclosed
EP-0666708-A1 HERBICIDAL COMPOSITIONS CONTAINING TRIAZOLINONES FMC CORPORATION (US) 1995-08-16 EP disclosed
WO-1994009629-A1 HERBICIDAL COMPOSITIONS CONTAINING TRIAZOLINONES FMC CORPORATION (US) 1994-05-11 WO disclosed
US-5208212-A Synergistic FMC CORPORATION (US) 1993-05-04 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 (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-20020049321-A1 Herbicidal sulfonylureas, their preparation and use SLC5A1, DDT, SLC5A2 LMNA 3715/4885ALDH1A1 1171/4885CYP2C9 506/4885

“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.