SCHEMBL21215775

SCHEMBL21215775

c1ccc(-c2ccc3ccc4ccc(-c5ccc6cc(-c7ccc8cc9ccccc9cc8n7)ccc6n5)nc4c3n2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.42
▸ SMN1; SMN2 Q16637 8/20 0.42
▸ LMNA P02545 6/20 0.42
▸ ALDH1A1 P00352 6/20 0.42
▸ MAPT P10636 4/20 0.42
▸ PKM P14618 4/20 0.42
▸ TP53 P04637 4/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ TSHR P16473 1/20 0.42
▸ KLF5 Q13887 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ NPC1 O15118 9/20 0.42
▸ RAB9A P51151 9/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ POLB P06746 2/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ CCR1 P32246 2/20 0.40
▸ CCR5 P51681 2/20 0.40
▸ CCR8 P51685 2/20 0.40
▸ ALOX15 P16050 2/20 0.40

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
SCHEMBL21215625 0.97 KDM4E (0.44) KDM4ESMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL21215633 0.92 KDM4E (0.50) KDM4ESMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL23016289 0.91 NPC1 (0.46) KDM4ESMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL21215795 0.91 NPC1 (0.45) KDM4ESMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL21215828 0.91 KDM4E (0.44) KDM4ESMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL24475588 0.90 NPC1 (0.43) KDM4ESMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL20250551 0.90 MAOA (0.42) KDM4ESMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL21215774 0.90 NPC1 (0.44) KDM4ESMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL20250580 0.89 MAOA (0.44) KDM4ESMN1; SMN2LMNAALDH1A1PKM
SCHEMBL20250559 0.88 BACE1 (0.44) KDM4ESMN1; SMN2LMNAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190233398-A1 HETEROCYCLIC COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE USING SAME HEESUNG MATERIAL LTD. (KR) 2019-08-01 — — 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 (1 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-20190233398-A1 HETEROCYCLIC COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE USING SAME CRY1, CRY2, PER2 KDM4E 2382/4885SMN1; SMN2 1729/4885LMNA 781/4885

“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.

Send feedback