SCHEMBL21647183

SCHEMBL21647183

Nc1cnccc1-c1ccccc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 4/20 0.45
SMARCA4 P51532 4/20 0.45
NR1I2 O75469 3/20 0.45
PBRM1 Q86U86 3/20 0.45
BRD4 O60885 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
IDO1 P14902 3/20 0.43
EP300 Q09472 1/20 0.43
KAT2B Q92831 1/20 0.43
KAT8 Q9H7Z6 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 2/20 0.41
IKBKB O14920 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 1/20 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
SCHEMBL12023184 0.84 IDO1 (0.48) SMN1; SMN2IDO1MAOAMAOBALOX15
SCHEMBL17506374 0.81 AOC1 (0.52) SMN1; SMN2EP300KAT2BKAT8MAOA
SCHEMBL15784149 0.78 KDM4E (0.38) IDO1EP300KAT2BKAT8MAOA
SCHEMBL6635250 0.77 LIMK1 (0.56) SMN1; SMN2MAOAMAOBTSHRALDH1A1
SCHEMBL29939393 0.77 ALDH1A1 (0.46) SMN1; SMN2MAOAMAOBALDH1A1KDM4E
SCHEMBL13149262 0.77 ALDH1A1 (0.46) SMN1; SMN2MAOAMAOBALDH1A1KDM4E
SCHEMBL4434876 0.77 GPBAR1 (0.43) SMN1; SMN2MAOAMAOBTSHRALDH1A1
SCHEMBL3954650 0.77 GSK3B (0.45) SMN1; SMN2IDO1MAOAMAOBALOX15
SCHEMBL2068581 0.77 ALDH1A1 (0.68) SMARCA2SMARCA4NR1I2PBRM1BRD4
SCHEMBL31359603 0.76 ALDH1A1 (0.57) SMARCA2SMARCA4NR1I2PBRM1BRD4

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-20210347785-A1 PREPARATION AND APPLICATION OF AROMATIC COMPOUND HAVING IMMUNOREGULATORY FUNCTION SHANGHAI ENNOVABIO PHARMACEUTICALS CO., LTD. (CN) 2021-11-11 US disclosed
EP-3831823-A1 PREPARATION AND APPLICATION OF AROMATIC COMPOUND HAVING IMMUNOREGULATORY FUNCTION Shanghai Ennovabio Pharmaceuticals Co., Ltd. (CN) 2021-06-09 EP disclosed
WO-2020025030-A1 PREPARATION AND APPLICATION OF AROMATIC COMPOUND HAVING IMMUNOREGULATORY FUNCTION 上海轶诺药业有限公司 2020-02-06 WO 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-20210347785-A1 PREPARATION AND APPLICATION OF AROMATIC COMPOUND HAVING IMMUNOREGULATORY FUNCTION CD274, PDCD1, PDCD1LG2 SMARCA2 1617/4885SMARCA4 1391/4885NR1I2 1292/4885

“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.