SCHEMBL21931872

SCHEMBL21931872

Cc1ccc(N(c2ccc(-c3ccc(-c4c([N+](=O)[O-])c([N+](=O)[O-])c(-c5ccc(-c6ccc(N(c7ccc(C)cc7)c7ccc(C(C)(C)C)cc7)cc6)s5)c5nsnc45)s3)cc2)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 3/20 0.34
▸ MAPT P10636 2/20 0.33
▸ HSD17B1 P14061 1/20 0.33
▸ HSD17B2 P37059 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ FLT3 P36888 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HCRTR2 O43614 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ XBP1 P17861 1/20 0.30
▸ RAB9A P51151 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
SCHEMBL21931871 0.84 TSHR (0.34) APPMAPTHSD17B1HSD17B2ALDH1A1
SCHEMBL21998709 0.82 APP (0.37) APPMAPTHSD17B1HSD17B2ALDH1A1
SCHEMBL21931866 0.79 TDP1 (0.35) APPHSD17B1HSD17B2ALDH1A1TSHR
SCHEMBL13197643 0.75 TSHR (0.43) APPMAPTHSD17B1HSD17B2ALDH1A1
SCHEMBL13197642 0.75 TSHR (0.46) APPMAPTHSD17B1HSD17B2ALDH1A1
SCHEMBL13197616 0.74 TSHR (0.42) APPMAPTHSD17B1HSD17B2ALDH1A1
SCHEMBL13197653 0.73 TSHR (0.44) APPMAPTHSD17B1HSD17B2ALDH1A1
SCHEMBL29435875 0.72 MAPT (0.43) APPMAPTALDH1A1HPGDTSHR
SCHEMBL14066320 0.71 ALDH1A1 (0.36) MAPTALDH1A1HPGDNPSR1NPC1
SCHEMBL13454320 0.70 KMT2A (0.49) APPMAPTALDH1A1HPGD

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-11389446-B2 Theranostic agents THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2022-07-19 — — US disclosed
US-20200147078-A1 THERANOSTIC AGENTS THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2020-05-14 — — 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 (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-11389446-B2 Theranostic agents FAP, MKI67, TFPI APP 654/4885MAPT 2024/4885HSD17B1 4704/4885
US-20200147078-A1 THERANOSTIC AGENTS FAP, MKI67, PAIP1 APP 613/4885MAPT 2200/4885HSD17B1 4679/4885

“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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