SCHEMBL16675984

SCHEMBL16675984

O=C(NC(=S)Nc1cccc(Cl)c1)C1CCCCC1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.65
▸ MEN1 O00255 4/20 0.65
▸ CYP1A2 P05177 1/20 0.64
▸ CYP3A4 P08684 1/20 0.64
▸ CYP2D6 P10635 1/20 0.64
▸ CYP2C19 P33261 1/20 0.64
▸ LMNA P02545 2/20 0.63
▸ ALDH1A1 P00352 2/20 0.63
▸ RAB9A P51151 6/20 0.61
▸ NPC1 O15118 5/20 0.61
▸ NR1I2 O75469 1/20 0.60
▸ AHR P35869 1/20 0.60
▸ EPHX2 P34913 2/20 0.56
▸ EPHX1 P07099 1/20 0.56
▸ TSHR P16473 1/20 0.56

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
SCHEMBL2246607 0.86 MEN1 (0.69) KMT2AMEN1LMNAALDH1A1RAB9A
SCHEMBL23109077 0.78 MGLL (0.64) KMT2AMEN1LMNAALDH1A1
SCHEMBL26123831 0.78 MEN1 (1.00) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL22274845 0.78 IDO1 (0.73) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL11449846 0.76 IDO1 (0.66) KMT2AMEN1LMNAALDH1A1RAB9A
SCHEMBL15528508 0.75 KMT2A (0.74) KMT2A
SCHEMBL26991 0.74 IDO1 (0.79) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL29481122 0.74 IDO1 (0.79) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL14095951 0.74 RAB9A (0.72) KMT2AALDH1A1RAB9ANPC1
SCHEMBL3046207 0.73 SMN1; SMN2 (0.84) ALDH1A1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580391-B2 Saturated acyl guanidine for inhibition of F1F0-ATPase LYCERA CORPORATION (US) 2017-02-28 — — US disclosed
US-9580391-B2 Saturated acyl guanidine for inhibition of F1F0-ATPase LYCERA CORPORATION (US) 2017-02-28 — — US disclosed
US-20150119439-A1 SATURATED ACYL GUANIDINE FOR INHIBITION OF F1F0-ATPASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-04-30 — — US disclosed
US-20150119439-A1 SATURATED ACYL GUANIDINE FOR INHIBITION OF F1F0-ATPASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-04-30 — — 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-20150119439-A1 SATURATED ACYL GUANIDINE FOR INHIBITION OF F1F0-ATPASE ATP5F1A, ATP5F1D, ATP5F1C KMT2A 1780/4885MEN1 3593/4885CYP1A2 2648/4885

“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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