SCHEMBL25016632

SCHEMBL25016632

CC(C)(C)c1nc(I)nc2sc3ccccc3c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.40
▸ GPR3 P46089 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ADK P55263 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ TNKS O95271 1/20 0.32
▸ TNKS2 Q9H2K2 1/20 0.32
▸ GPR55 Q9Y2T6 1/20 0.31
▸ TNF P01375 1/20 0.31
▸ NOD1 Q9Y239 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TDP1 Q9NUW8 2/20 0.31
▸ POLB P06746 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
SCHEMBL19162623 0.83 ELANE (0.41) ELANEGPR3MAPTKDM4EGAA
SCHEMBL24627146 0.83 ELANE (0.41) ELANEGPR3MAPTKDM4EGAA
SCHEMBL19161279 0.79 ATM (0.39) ELANEMAPTKDM4EGAAALDH1A1
SCHEMBL19161966 0.77 ATM (0.38) ELANEMAPTKDM4EGAAALDH1A1
SCHEMBL24627103 0.76 TNF (0.45) ELANEMAPTKDM4ENPSR1ALDH1A1
SCHEMBL19161968 0.76 ELANE (0.36) ELANEGPR3MAPTKDM4EGAA
SCHEMBL25016499 0.76 TNKS (0.45) GPR3MAPTKDM4ENPSR1ALDH1A1
SCHEMBL25016500 0.76 ELANE (0.40) ELANEGPR3MAPTKDM4EGAA
SCHEMBL21164751 0.75 MRGPRX1 (0.37) ELANEGPR3MAPTALDH1A1MEN1
SCHEMBL19161200 0.74 ELANE (0.38) ELANEMAPTKDM4EGAANPSR1

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-11578076-B2 Heterocyclic compound and organic light emitting device using the same LG CHEM, LTD. (KR) 2023-02-14 — — 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-11578076-B2 Heterocyclic compound and organic light emitting device using the same CYBA, SUN2, TMEM109 ELANE 3934/4885GPR3 3573/4885MAPT 1736/4885

“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.

Send feedback