SCHEMBL12912004

SCHEMBL12912004

CCn1nc(C(F)(F)F)cc1-c1nc2c(C)cc(C)cc2c(=O)o1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.35
▸ TSHR P16473 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ ELANE P08246 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ RAD51 Q06609 1/20 0.34
▸ PARP1 P09874 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ XBP1 P17861 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ HDAC3 O15379 2/20 0.32
▸ HDAC4 P56524 2/20 0.32
▸ HDAC1 Q13547 2/20 0.32
▸ HDAC7 Q8WUI4 2/20 0.32
▸ HDAC2 Q92769 2/20 0.32
▸ HDAC10 Q969S8 2/20 0.32
▸ HDAC11 Q96DB2 2/20 0.32
▸ HDAC8 Q9BY41 2/20 0.32

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
SCHEMBL951344 0.89 STIM1 (0.34) ELANESTIM1ORAI1
SCHEMBL12528466 0.85 S1PR1 (0.41) HTTELANEKDM4EPARP1SMN1; SMN2
SCHEMBL12912044 0.83 ELANE (0.35) HTTTSHRNPSR1HSD17B10ELANE
SCHEMBL12912024 0.83 TSHR (0.36) HTTTSHRNPSR1HSD17B10ELANE
SCHEMBL12912226 0.81 PDE5A (0.35) ELANEKDM4EPARP1HDAC3HDAC4
SCHEMBL12911953 0.80 PTGS1 (0.47) TSHRMAPTLMNAHDAC3HDAC4
SCHEMBL30961171 0.79 GRIN1 (0.34) ELANEHDAC3HDAC4HDAC1HDAC7
SCHEMBL27257363 0.79 RAB9A (0.34) ELANEHDAC3HDAC4HDAC1HDAC7
SCHEMBL27256619 0.79 GRIN1 (0.34) ELANEHDAC3HDAC4HDAC1HDAC7
SCHEMBL12912164 0.79 NR3C2 (0.38) HTTTSHRNPSR1HSD17B10ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7867949-B2 Hydrazide compound and pesticidal use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-11 — — US disclosed
US-20090181956-A1 Hydrazide Compound and Pesticidal Use of the Same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-07-16 — — 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-20090181956-A1 Hydrazide Compound and Pesticidal Use of the Same ACHE, DDT, CAT HTT 499/4885TSHR 1774/4885NPSR1 2214/4885

“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.

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