SCHEMBL26690409

SCHEMBL26690409

N=C(Nc1ccc(I)cc1)NC1C2CC3CC4CC1C42C3

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.41
AR P10275 1/20 0.40
KCNH2 Q12809 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
CXCR3 P49682 1/20 0.33
EPHX1 P07099 1/20 0.32
FPR2 P25090 4/20 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
SCHEMBL678775 0.73 CXCR3 (0.51) EPHX2ARKCNH2SIGMAR1TP53
SCHEMBL8996650 0.70 EPHX2 (0.68) EPHX2ARKCNH2SIGMAR1
SCHEMBL9315978 0.64 EPHX1 (0.67) EPHX2CYP1A2CYP3A4CYP2C19EPHX1
SCHEMBL8874311 0.62 EPHX2 (0.51) EPHX2SIGMAR1CXCR3
SCHEMBL23921328 0.62 CXCR3 (0.39) EPHX2ARKCNH2SIGMAR1TP53
SCHEMBL25729981 0.61 GRIN2D (0.33)
SCHEMBL22939669 0.60 SIGMAR1 (0.47) EPHX2ARKCNH2SIGMAR1TP53
Hydrochloric Acid SCHEMBL9668364 0.59 SIGMAR1 (0.46) EPHX2ARKCNH2SIGMAR1TP53
SCHEMBL11698867 0.56 EPHX2 (0.68) EPHX2
SCHEMBL4110715 0.56 EPHX2 (0.68) EPHX2TP53CYP1A2CYP3A4CYP2D6

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-20230346879-A1 COMPOSITIONS AND METHODS FOR COMBINATORIAL DRUG DISCOVERY IN NANOLITER DROPLETS MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2023-11-02 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-20230346879-A1 COMPOSITIONS AND METHODS FOR COMBINATORIAL DRUG DISCOVERY IN NANOLITER DROPLETS RAB5IF, CLTB, TBK1 EPHX2 2554/4885AR 4220/4885KCNH2 4854/4885

“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.