SCHEMBL4086683

SCHEMBL4086683

Cc1ccc(C(=O)NC(CNC(=O)OCC(F)(F)F)C(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MLYCD O95822 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC4 P56524 3/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CCR3 P51677 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
SCHEMBL3810771 0.91 MLYCD (0.44) SMN1; SMN2NPC1RAB9AMLYCDTDP1
SCHEMBL18113985 0.91 MLYCD (0.44) SMN1; SMN2NPC1RAB9AMLYCDTDP1
SCHEMBL4088688 0.88 HPGD (0.46) SMN1; SMN2TDP1HPGDMEN1KMT2A
SCHEMBL4092474 0.84 KMT2A (0.46) SMN1; SMN2NPC1TDP1HPGDMEN1
SCHEMBL4092763 0.83 MLYCD (0.41) SMN1; SMN2MLYCDTDP1HPGDMEN1
SCHEMBL29733453 0.81 MLYCD (0.42) SMN1; SMN2NPC1RAB9AMLYCDTDP1
SCHEMBL21749700 0.81 NPC1 (0.44) SMN1; SMN2NPC1RAB9AMLYCDTDP1
SCHEMBL3807941 0.81 KMT2A (0.48) SMN1; SMN2NPC1RAB9AMLYCDTDP1
SCHEMBL3807531 0.81 NPC1 (0.44) SMN1; SMN2NPC1RAB9AMLYCDTDP1
SCHEMBL15165764 0.80 MAPT (0.42) SMN1; SMN2NPC1RAB9AMLYCDTDP1

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
CN-107333780-B Bactericidal composition and application thereof 中化作物保护品有限公司 2020-03-24 CN disclosed
US-20090023667-A1 Composition For Preventing Harmful Organisms MITSUI CHEMICALS, INC. (JP) 2009-01-22 US disclosed
EP-1872658-A1 PESTICIDAL COMPOSITION Mitsui Chemicals, Inc. (JP) 2008-01-02 EP disclosed
US-20070049635-A1 Diamine derivatives, process for producing the same, and plant disease control agents containing the same as active ingredients MITSUI CHEMICALS, INC. (JP) 2007-03-01 US disclosed
EP-1681285-A1 DIAMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND PLANT DISEASE CONTROL AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT Mitsui Chemicals, Inc. (JP) 2006-07-19 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-20070049635-A1 Diamine derivatives, process for producing the same, and plant disease control agents containing the same as active ingredients HRH4, HRH1, DDT SMN1; SMN2 3370/4885NPC1 1621/4885RAB9A 640/4885
US-20090023667-A1 Composition For Preventing Harmful Organisms DDT, CBR3, AHR SMN1; SMN2 3028/4885NPC1 1609/4885RAB9A 996/4885

“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.