SCHEMBL23129696

SCHEMBL23129696

c1ccc2c(c1)ccc1c2c2c3c4ccccc4c4ccccc4c3ccc2n1-c1nc(-c2ccc3c(c2)sc2ccccc23)c2oc3ccccc3c2n1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 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
SCHEMBL23983763 0.96 NPC1 (0.31) NPC1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL23984102 0.93 NPC1 (0.30) NPC1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL23983594 0.92 NPC1 (0.31) NPC1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL23129128 0.89 CYP1A2 (0.36) NPC1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL23983963 0.89
SCHEMBL23983604 0.88 TDP1 (0.32) NPC1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL23129601 0.88 NPC1 (0.30) NPC1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL23129408 0.87 NPC1 (0.33) NPC1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL23984018 0.87 NQO1 (0.32) RAB9A
SCHEMBL26973747 0.86 TDP1 (0.32)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858947-B2 Heterocyclic compound and organic light emitting device including the same LG CHEM, LTD. (KR) 2024-01-02 US disclosed
US-11858947-B2 Heterocyclic compound and organic light emitting device including the same LG CHEM, LTD. (KR) 2024-01-02 US disclosed
US-20210340159-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME LG CHEM, LTD. (KR) 2021-11-04 US disclosed
EP-3795569-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2021-03-24 EP 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 (2 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-20210340159-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME NR4A1, CYP1A1, ARNT NPC1 2374/4885CYP1A2 36/4885CYP2C9 76/4885
US-11858947-B2 Heterocyclic compound and organic light emitting device including the same NR4A1, CYP1A1, ARNT NPC1 2374/4885CYP1A2 36/4885CYP2C9 76/4885

“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.