SCHEMBL16346102

SCHEMBL16346102

O=C1c2cc3ccccc3nc2C=CC1c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.40
▸ RAB9A P51151 5/20 0.40
▸ ALDH1A1 P00352 8/20 0.36
▸ MAPT P10636 4/20 0.36
▸ GLA P06280 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ ACHE P22303 1/20 0.36
▸ KMT2A Q03164 6/20 0.36
▸ MEN1 O00255 5/20 0.36
▸ TP53 P04637 3/20 0.36
▸ CYP3A4 P08684 3/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ KDM4E B2RXH2 6/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ PDE2A O00408 1/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 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
SCHEMBL195410 0.79 ALDH1A1 (0.42) NPC1RAB9AALDH1A1MAPTGLA
SCHEMBL71079 0.79 NPC1 (0.41) NPC1RAB9AALDH1A1MAPTGLA
SCHEMBL3234460 0.79 NPC1 (0.41) NPC1RAB9AALDH1A1MAPTGLA
SCHEMBL9690618 0.79 NPC1 (0.41) NPC1RAB9AALDH1A1MAPTGLA
SCHEMBL354611 0.79 NPC1 (0.41) NPC1RAB9AALDH1A1MAPTGLA
SCHEMBL3859298 0.79 NPC1 (0.41) NPC1RAB9AALDH1A1MAPTGLA
SCHEMBL3735368 0.79 RAB9A (0.45) NPC1RAB9AALDH1A1MAPTGLA
SCHEMBL7088775 0.79 NPC1 (0.41) NPC1RAB9AALDH1A1MAPTGLA
SCHEMBL7841262 0.78 RAB9A (0.39) NPC1RAB9AALDH1A1MAPTGLA
Hydrochloric Acid SCHEMBL1713917 0.78 NPC1 (0.41) NPC1RAB9AALDH1A1MAPTGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11121327-B2 Spiro-condensed lactam compounds for organic electroluminescent devices MERCK PATENT GMBH (DE) 2021-09-14 — — US disclosed
EP-3016952-B1 SPIRO-CONDENSED LACTAM COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-05-15 — — EP disclosed
US-20160372681-A1 SPIRO-CONDENSED LACTAM COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2016-12-22 — — US disclosed
EP-3016952-A1 SPIRO-CONDENSED LACTAM COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmbH (DE) 2016-05-11 — — EP disclosed
WO-2015000542-A1 SPIRO-CONDENSED LACTAM COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-01-08 — — WO 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-11121327-B2 Spiro-condensed lactam compounds for organic electroluminescent devices PORCN, COASY, AAAS NPC1 3971/4885RAB9A 1790/4885ALDH1A1 2105/4885
US-20160372681-A1 SPIRO-CONDENSED LACTAM COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES PORCN, COASY, AAAS NPC1 3971/4885RAB9A 1790/4885ALDH1A1 2105/4885

“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.

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