SCHEMBL6770919

SCHEMBL6770919

Cc1cccnc1C(=O)c1ccc(F)c(N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B14 Q9BPX1 2/20 0.42
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
BACE1 P56817 1/20 0.37
NPC1 O15118 2/20 0.36
HSD17B10 Q99714 2/20 0.36
LMNA P02545 2/20 0.36
CTSA P10619 1/20 0.36
USP2 O75604 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MITF O75030 1/20 0.36
POLB P06746 1/20 0.36
GRM5 P41594 1/20 0.36
GRM4 Q14833 1/20 0.36

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
SCHEMBL5658061 0.79 RAB9A (0.49) MAPTNPC1HSD17B10LMNARAB9A
SCHEMBL6771947 0.79 ITGB1 (0.50) MAPTTDP1NPC1LMNARAB9A
SCHEMBL6122220 0.76 KEAP1 (0.49) MAPTNOS3NOS1NOS2NPC1
SCHEMBL6771181 0.75 HSD17B14 (0.71) HSD17B14NPC1LMNARAB9ASMN1; SMN2
SCHEMBL8013848 0.75 GAA (0.52) HSD17B14MAPTTDP1NPC1HSD17B10
SCHEMBL2240328 0.75 L3MBTL1 (0.47) MAPTNOS3NOS1NOS2NPC1
SCHEMBL17263069 0.74 KMT2A (0.52) MAPTTDP1NPC1LMNARAB9A
Hydrochloric Acid SCHEMBL8752684 0.73 GAA (0.50) HSD17B14MAPTTDP1NPC1HSD17B10
Ammonia Solution, Strong SCHEMBL8752682 0.73 GAA (0.50) HSD17B14MAPTTDP1NPC1HSD17B10
SCHEMBL8752661 0.73 MAPT (0.50) HSD17B14MAPTTDP1NPC1HSD17B10

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
US-6706663-B2 CHEMICAL INTERMEDIATES WYETH 2004-03-16 US disclosed
US-6562979-B1 A single-step process for the preparation of formula (I) benzisothiazoles from 2-acylphenylthiocyanates. Formula (I) benzisothiazoles are useful as key intermediates in the manufacture of herbicidally active compounds. BASF AKTIENGESELLSCHAFT (DE) 2003-05-13 US disclosed
EP-1274708-A1 HERBICIDAL 3-HETEROCYCLIC SUBSTITUTED BENZISOTHIAZOLE AND BENZISOXAZOLE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2003-01-15 EP disclosed
EP-1196399-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED BENZISOTHIAZOLE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2002-04-17 EP disclosed
US-20020028748-A1 Herbicidal 3 -heterocyclic substituted benzisothiazole and benzisoxazole compounds INTELLECTUAL PROPERTY DEPARTMENT BASF AKTIENGESELLSCHAFT (DE) 2002-03-07 US disclosed
WO-2001079203-A1 HERBICIDAL 3-HETEROCYCLIC SUBSTITUTED BENZISOTHIAZOLE AND BENZISOXAZOLE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2001-10-25 WO disclosed
WO-2001005775-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED BENZISOTHIAZOLE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2001-01-25 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-20020028748-A1 Herbicidal 3 -heterocyclic substituted benzisothiazole and benzisoxazole compounds CYP4X1, HAX1, DDT HSD17B14 2205/4885MAPT 3311/4885TDP1 1774/4885

“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.