SCHEMBL2107243

SCHEMBL2107243

Cc1[c]c(C)c(-c2ccccn2)c(C(F)(C(F)(F)F)C(F)(F)C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.37
NPC1 O15118 2/20 0.37
CBFB Q13951 5/20 0.35
METAP1 P53582 3/20 0.35
METAP2 P50579 2/20 0.35
CCR1 P32246 2/20 0.33
CCR5 P51681 2/20 0.33
CCR8 P51685 2/20 0.33
CYP1A2 P05177 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
BLM P54132 1/20 0.33
HIF1A Q16665 1/20 0.33
DOHH Q9BU89 1/20 0.33
P4HTM Q9NXG6 1/20 0.33
GAA P10253 1/20 0.33
MDM2 Q00987 1/20 0.33
SYK P43405 1/20 0.32
TGFBR1 P36897 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL1948144 0.93 KDM4E (0.40) KDM4ENPC1CBFBMETAP1METAP2
SCHEMBL2103172 0.83 CYP1A2 (0.31) CYP1A2
SCHEMBL2106143 0.78 AR (0.33) PDK2
SCHEMBL16460854 0.77
SCHEMBL2107348 0.77 HSD11B1 (0.35)
SCHEMBL2106563 0.77
SCHEMBL2107562 0.77 CYP2A6 (0.34) KDM4ECYP1A2
SCHEMBL2103532 0.77 KDM4E (0.35) KDM4ENPC1CBFBMETAP1METAP2
SCHEMBL2105845 0.77
SCHEMBL2106566 0.76

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-8163804-B2 Composition for preventing harmful organisms MITSUI CHEMICALS, INC. (JP) 2012-04-24 US disclosed
US-20090162453-A1 COMPOSITION FOR PREVENTING HARMFUL ORGANISMS MITSUI CHEMICALS, INC (JP) 2009-06-25 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-20090162453-A1 COMPOSITION FOR PREVENTING HARMFUL ORGANISMS PRDX3, CYP1A1, GSTA1 KDM4E 2037/4885NPC1 2605/4885CBFB 4430/4885

“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.