SCHEMBL19042104

SCHEMBL19042104

NC(=O)NCCCCc1ccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A5 Q9Y345 1/20 0.41
▸ GCGR P47871 8/20 0.40
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HDAC1 Q13547 3/20 0.39
▸ HDAC6 Q9UBN7 3/20 0.39
▸ HDAC3 O15379 2/20 0.39
▸ HDAC4 P56524 2/20 0.39
▸ HDAC7 Q8WUI4 2/20 0.39
▸ HDAC2 Q92769 2/20 0.39
▸ HDAC10 Q969S8 2/20 0.39
▸ HDAC11 Q96DB2 2/20 0.39
▸ HDAC8 Q9BY41 2/20 0.39
▸ HDAC9 Q9UKV0 2/20 0.39
▸ HDAC5 Q9UQL6 2/20 0.39
▸ S1PR1 P21453 1/20 0.38
▸ S1PR3 Q99500 1/20 0.38
▸ EPHX2 P34913 3/20 0.37
▸ GIPR P48546 2/20 0.37
▸ LTA4H P09960 1/20 0.37

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
SCHEMBL16137235 0.91 SLC6A5 (0.41) SLC6A5GCGRLMNAMAPTHDAC1
SCHEMBL17454641 0.84 EPHX2 (0.49) MAPTEPHX2PTGS2
SCHEMBL17470685 0.84 EPHX2 (0.49) SLC6A5MAPTEPHX2TRPV1PTGS2
SCHEMBL17454650 0.84 EPHX2 (0.49) EPHX2PTGS2
SCHEMBL17454804 0.84 EPHX2 (0.49) MAPTEPHX2PTGS2CYP3A4CYP2C9
SCHEMBL16112776 0.84 LTA4H (0.46) GCGRLMNAMAPTHDAC1HDAC6
SCHEMBL16031327 0.84 S1PR1 (0.38) MAPTHDAC1HDAC6S1PR1S1PR3
SCHEMBL16030050 0.84 S1PR1 (0.40) GCGRHDAC1HDAC6S1PR1S1PR3
SCHEMBL16137272 0.83 LTA4H (0.43) GCGRLMNAMAPTHDAC1HDAC6
SCHEMBL17861335 0.83 SMN1; SMN2 (0.44) GCGRLMNAMAPTHDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170183335-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC 2017-06-29 — — 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-20170183335-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD SLC6A5 3223/4885GCGR 3248/4885LMNA 3816/4885

“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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