SCHEMBL19161958

SCHEMBL19161958

CC(C)(C)c1nc(-n2c3ccccc3c3ccccc32)nc2c1oc1ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.42
▸ KDM4E B2RXH2 5/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ TSHR P16473 6/20 0.39
▸ LMNA P02545 5/20 0.38
▸ HRH4 Q9H3N8 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ CREBBP Q92793 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HTT P42858 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ MAPT P10636 5/20 0.37
▸ NPSR1 Q6W5P4 4/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPY1R P25929 1/20 0.37
▸ NPY2R P49146 1/20 0.37

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
SCHEMBL19161197 0.89 ALDH1A1 (0.36) ALDH1A1KDM4EKMT2AMEN1TSHR
SCHEMBL16905906 0.81 ALDH1A1 (0.46) ALDH1A1KDM4EKMT2AMEN1TSHR
SCHEMBL19162694 0.79 SMN1; SMN2 (0.39) ALDH1A1KDM4EKMT2AMEN1TSHR
SCHEMBL19161213 0.77 LMNA (0.55) ALDH1A1KDM4EKMT2AMEN1TSHR
SCHEMBL16905618 0.77 TSHR (0.44) ALDH1A1KDM4EKMT2AMEN1TSHR
SCHEMBL19161276 0.77 HRH4 (0.44) ALDH1A1KDM4EKMT2AMEN1TSHR
SCHEMBL25016487 0.76 KDM4E (0.47) ALDH1A1KDM4EKMT2AMEN1TSHR
SCHEMBL16905616 0.74 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2AMEN1TSHR
SCHEMBL23766378 0.74 CA12 (0.41) ALDH1A1KDM4EKMT2AMEN1TSHR
SCHEMBL19162676 0.74 MAPT (0.56) ALDH1A1KDM4EKMT2AMEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10580998-B2 Nitrogen-containing condensed cyclic compound and organic light emitting device using same LG CHEM, LTD. (KR) 2020-03-03 — — US disclosed
US-20190173022-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME LG CHEM, LTD. (KR) 2019-06-06 — — US disclosed
US-20170213984-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME LG CHEM, LTD. (KR) 2017-07-27 — — 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 (3 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-10580998-B2 Nitrogen-containing condensed cyclic compound and organic light emitting device using same CRY1, NOS1, NOLC1 ALDH1A1 331/4885KDM4E 2743/4885KMT2A 1423/4885
US-20190173022-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME CRY1, NOS1, NOLC1 ALDH1A1 331/4885KDM4E 2743/4885KMT2A 1423/4885
US-20170213984-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME CRY1, NOS1, NOLC1 ALDH1A1 331/4885KDM4E 2743/4885KMT2A 1423/4885

“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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