SCHEMBL24828534

SCHEMBL24828534

CCn1cc(Cn2ncc(Cl)c2I)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
HTT P42858 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 4/20 0.35
NPSR1 Q6W5P4 3/20 0.35
LMNA P02545 3/20 0.35
RAB9A P51151 2/20 0.35
RECQL P46063 1/20 0.35
ACHE P22303 1/20 0.35
KCNH2 Q12809 2/20 0.35
KMT2A Q03164 4/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
NPBWR1 P48145 2/20 0.33
MITF O75030 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL17624318 0.76
SCHEMBL1844143 0.73
SCHEMBL24828535 0.72 HSD17B10 (0.51) ALDH1A1HTTSMN1; SMN2MAPTNPSR1
SCHEMBL24828668 0.72 CSF1R (0.35) ALDH1A1MAPTLMNAACHEKCNH2
Hydrochloric Acid SCHEMBL4854439 0.71 ALDH1A1 (0.38) ALDH1A1MAPTLMNAACHEKCNH2
SCHEMBL17493853 0.70 KCNH2 (0.43) ALDH1A1MAPTLMNAACHEKCNH2
SCHEMBL20245193 0.69
SCHEMBL2756556 0.68
SCHEMBL24828461 0.67 MAPT (0.34) ALDH1A1MAPTLMNAACHEKCNH2
SCHEMBL22509544 0.66 MAPT (0.49) MAPTLMNAKMT2AMEN1POLB

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-11542278-B1 Heteroaromatic macrocyclic ether chemotherapeutic agents NUVALENT, INC. (US) 2023-01-03 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-11542278-B1 Heteroaromatic macrocyclic ether chemotherapeutic agents CYP2C8, ABCB1, CYP3A43 ALDH1A1 874/4885HTT 1190/4885SMN1; SMN2 2005/4885

“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.