SCHEMBL4681920

SCHEMBL4681920

Cn1nnnc1C(=O)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.46
LTA4H P09960 1/20 0.44
RAB9A P51151 5/20 0.43
NPC1 O15118 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 2/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 2/20 0.42
ATM Q13315 1/20 0.41
USP2 O75604 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39

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
SCHEMBL4683800 0.85 ALDH1A1 (0.50) RAB9ANPC1SMN1; SMN2TP53LMNA
SCHEMBL4686699 0.83 HTT (0.51) RAB9ANPC1SMN1; SMN2LMNAHSD17B10
SCHEMBL242834 0.83 HIF1A (0.45) RAB9ASMN1; SMN2ALDH1A1ATMKDM4E
SCHEMBL9799130 0.81 HMGCR (0.43) HMGCRRAB9ASMN1; SMN2ALDH1A1USP2
SCHEMBL4686668 0.81 KDM4E (0.48) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL4683697 0.81 ALDH1A1 (0.49) RAB9ASMN1; SMN2LMNAALDH1A1CES2
SCHEMBL9726661 0.80 HMGCR (0.47) HMGCRRAB9ASMN1; SMN2ALDH1A1USP2
SCHEMBL10386594 0.79 HMGCR (0.47) HMGCRRAB9ASMN1; SMN2ALDH1A1USP2
SCHEMBL9235476 0.79 HMGCR (0.46) HMGCRRAB9ASMN1; SMN2TP53LMNA
SCHEMBL10527444 0.78 HMGCR (0.45) HMGCRRAB9ASMN1; SMN2TP53LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1426371-B1 TETRAZOYL OXIME DERIVATIVES AND AGROCHEMICALS CONTAINING THE SAME AS THE ACTIVE INGREDIENT NIPPON SODA CO (JP) 2008-12-03 EP disclosed
US-20070105926-A1 Tetrazoyloxime derivative and agricultural chemical containing the same as active ingredient NIPPON SODA CO., LTD (JP) 2007-05-10 US disclosed
US-7183299-B2 Tetrazoyl oxime derivative and agricultural chemical containing the same as active ingredient NIPPON SODA CO., LTD. (JP) 2007-02-27 US disclosed
US-20050070439-A1 Tetrazoyl oxime derivative and agricultural chemical containing the same as active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-03-31 US disclosed
EP-1426371-A1 TETRAZOYL OXIME DERIVATIVE AND AGRICULTURAL CHEMICAL CONTAINING THE SAME AS ACTIVE INGREDIENT DAINIPPON INK AND CHEMICALS, INC. (JP) 2004-06-09 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 (2 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-20070105926-A1 Tetrazoyloxime derivative and agricultural chemical containing the same as active ingredient PAOX, TH, CYP2E1 HMGCR 2798/4885LTA4H 669/4885RAB9A 3652/4885
US-20050070439-A1 Tetrazoyl oxime derivative and agricultural chemical containing the same as active ingredient TH, CYP2E1, PAOX HMGCR 2654/4885LTA4H 1006/4885RAB9A 3720/4885

“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.