SCHEMBL21673259

SCHEMBL21673259

COCc1nc2c(Cl)nccc2s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.35
NPC1 O15118 5/20 0.35
RAB9A P51151 5/20 0.35
MAPT P10636 4/20 0.35
PKM P14618 1/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 3/20 0.34
TP53 P04637 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPK1 P28482 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
S1PR4 O95977 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CDC7 O00311 1/20 0.31
PLK4 O00444 1/20 0.31
DYRK3 O43781 1/20 0.31
ROCK2 O75116 1/20 0.31
MAP4K4 O95819 1/20 0.31
ROS1 P08922 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
SCHEMBL17040409 0.82 NPC1 (0.43) SMN1; SMN2NPC1RAB9AALDH1A1MAPK1
SCHEMBL16013803 0.73 ADORA3 (0.47) SMN1; SMN2MAPTPOLBALDH1A1TP53
SCHEMBL3193823 0.73 NPC1 (0.45) SMN1; SMN2NPC1RAB9AMAPTPKM
SCHEMBL30106850 0.72 MKNK1 (0.35) SMN1; SMN2ALDH1A1KDM4EMKNK1KMT2A
SCHEMBL24773233 0.72 MKNK1 (0.35) SMN1; SMN2ALDH1A1KDM4EMKNK1KMT2A
SCHEMBL21673323 0.70 CD274 (0.41) MKNK1
SCHEMBL5528501 0.69 ALDH1A1 (0.33) MAPTALDH1A1MAPK1
SCHEMBL30537878 0.69 LMNA (0.55) SMN1; SMN2RAB9AMAPTALDH1A1HSD17B10
SCHEMBL17031856 0.69 CASR (0.31) ALDH1A1
SCHEMBL18899026 0.69 ACACB (0.37) MAPTALDH1A1MAPK1MAPK9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112638899-B Preparation and application of aromatic compound with immunoregulation function 上海轶诺药业有限公司 2023-09-05 CN disclosed
US-20210347785-A1 PREPARATION AND APPLICATION OF AROMATIC COMPOUND HAVING IMMUNOREGULATORY FUNCTION SHANGHAI ENNOVABIO PHARMACEUTICALS CO., LTD. (CN) 2021-11-11 US disclosed
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
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 SMN1; SMN2 4470/4885NPC1 2808/4885RAB9A 1828/4885

“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.