SCHEMBL21532801

SCHEMBL21532801

c1ccc(-c2nnc(-c3ccccc3)n2-c2ccc3c(c2)c2ccccc2n3-c2ccc3oc4ccc(-n5c6ccccc6c6c7oc8ccccc8c7ccc65)cc4c3c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
HPGD P15428 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 2/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 5/20 0.33
HSD17B10 Q99714 4/20 0.33
MAPT P10636 4/20 0.33
POLB P06746 2/20 0.33
RGS12 O14924 1/20 0.33
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
TSHR P16473 3/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
BRCA1 P38398 1/20 0.32
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL21532379 0.97 ALDH1A1 (0.35) ALDH1A1HPGDSMN1; SMN2MAPK1LMNA
SCHEMBL21532389 0.95 ALDH1A1 (0.34) ALDH1A1HPGDSMN1; SMN2MAPK1LMNA
SCHEMBL21532177 0.94 ALDH1A1 (0.36) ALDH1A1HPGDSMN1; SMN2MAPK1LMNA
SCHEMBL21532284 0.93 ALDH1A1 (0.35) ALDH1A1HPGDSMN1; SMN2MAPK1LMNA
SCHEMBL21532305 0.92 ALDH1A1 (0.34) ALDH1A1HPGDSMN1; SMN2MAPK1LMNA
SCHEMBL21532659 0.92 ALDH1A1 (0.36) ALDH1A1HPGDSMN1; SMN2MAPK1LMNA
SCHEMBL21532390 0.91 ALDH1A1 (0.32) ALDH1A1HPGDSMN1; SMN2MAPK1LMNA
SCHEMBL21532572 0.90 ALOX5 (0.35) ALDH1A1HPGDSMN1; SMN2MAPK1LMNA
SCHEMBL21532808 0.90 HPGD (0.33) ALDH1A1HPGDSMN1; SMN2MAPK1LMNA
SCHEMBL21532180 0.90 ALDH1A1 (0.36) ALDH1A1HPGDSMN1; SMN2MAPK1LMNA

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-11145825-B2 Condensed cyclic compound and organic light-emitting device including i he same SAMSUNG ELECTRONICS CO., LTD. (KR) 2021-10-12 US disclosed
US-20190334095-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-10-31 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-11145825-B2 Condensed cyclic compound and organic light-emitting device including i he same CRY1, CCNT1, CCNA1 ALDH1A1 158/4885HPGD 3627/4885SMN1; SMN2 2430/4885
US-20190334095-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CCNT1, ARL1 ALDH1A1 283/4885HPGD 4204/4885SMN1; SMN2 2103/4885

“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.