SCHEMBL26687384

SCHEMBL26687384

N/C(=N/CCc1ccc(I)cc1)SCCCc1ccc[nH]1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 18/20 0.69
TP53 P04637 2/20 0.69
CYP1A2 P05177 2/20 0.69
CYP3A4 P08684 2/20 0.69
MEN1 O00255 1/20 0.69
TSHR P16473 1/20 0.69
KMT2A Q03164 1/20 0.69
HRH3 Q9Y5N1 19/20 0.67
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
Iodophenpropit SCHEMBL114508 0.81 HRH4 (1.00) HRH4TP53CYP1A2CYP3A4MEN1
Iodophenpropit SCHEMBL22651297 0.81 HRH4 (1.00) HRH4TP53CYP1A2CYP3A4MEN1
SCHEMBL8805366 0.79 HRH4 (0.63) HRH4TP53CYP1A2CYP3A4MEN1
SCHEMBL8621926 0.69 HRH3 (0.60) HRH4TP53CYP1A2CYP3A4MEN1
SCHEMBL8620794 0.66 HRH3 (0.56) HRH4TP53CYP1A2CYP3A4MEN1
SCHEMBL8619886 0.64 HRH4 (0.61) HRH4TP53CYP1A2CYP3A4MEN1
SCHEMBL8805742 0.63 HRH4 (0.54) HRH4TP53CYP1A2CYP3A4MEN1
SCHEMBL8625836 0.63 HRH3 (0.63) HRH4TP53CYP1A2CYP3A4MEN1
SCHEMBL7003873 0.62 GPR84 (0.41) HRH3
SCHEMBL11826939 0.62 MAOA (0.36) HRH4HRH3

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 HRH4 4196/4885TP53 2153/4885CYP1A2 4441/4885

“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.