SCHEMBL21085653

SCHEMBL21085653

CC(C)(C)c1nc(-c2ccc3ccccc3c2)nc2c1sc1ccc(CC(C)(C)c3nc(-c4ccc5ccccc5c4)nc4c3oc3ccccc34)cc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ POLB P06746 3/20 0.34
▸ TSHR P16473 3/20 0.34
▸ LMNA P02545 3/20 0.34
▸ HTT P42858 1/20 0.34
▸ ALDH1A1 P00352 5/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ MEN1 O00255 3/20 0.31
▸ HPGD P15428 2/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ NPSR1 Q6W5P4 3/20 0.31
▸ GAA P10253 1/20 0.31
▸ HSD17B10 Q99714 2/20 0.30
▸ ALOX12 P18054 1/20 0.30

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
SCHEMBL21085598 0.91 MAPT (0.41) MAPTKMT2APOLBTSHRLMNA
SCHEMBL24622757 0.83 MAPT (0.38) MAPTKMT2APOLBTSHRLMNA
SCHEMBL19162674 0.80 MAPT (0.43) MAPTKMT2APOLBTSHRLMNA
SCHEMBL19161277 0.78 TNKS (0.45) MAPTKMT2ATSHRHTTALDH1A1
SCHEMBL19169632 0.70 — —
SCHEMBL19161275 0.68 MAPT (0.54) MAPTKMT2APOLBTSHRLMNA
SCHEMBL20035360 0.68 TSHR (0.47) MAPTKMT2APOLBTSHRLMNA
SCHEMBL19162676 0.68 MAPT (0.56) MAPTKMT2APOLBTSHRLMNA
SCHEMBL18018404 0.67 MAPT (0.39) MAPTKMT2APOLBTSHRLMNA
SCHEMBL24700746 0.67 TNKS (0.33) MAPTKMT2APOLBTSHRLMNA

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 2 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

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-10580998-B2 Nitrogen-containing condensed cyclic compound and organic light emitting device using same CRY1, NOS1, NOLC1 MAPT 1589/4885KMT2A 1423/4885POLB 1068/4885
US-20190173022-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME CRY1, NOS1, NOLC1 MAPT 1589/4885KMT2A 1423/4885POLB 1068/4885

“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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