SCHEMBL21673258

SCHEMBL21673258

COCc1nc2cnccc2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
MAPT P10636 3/20 0.43
PKM P14618 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
MAPK1 P28482 1/20 0.41
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LTA4H P09960 1/20 0.38
KMT2A Q03164 2/20 0.37
CYP2A6 P11509 3/20 0.36
HTT P42858 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
UBE2T Q9NPD8 1/20 0.35
ASIC3 Q9UHC3 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP11B1 P15538 1/20 0.35

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
SCHEMBL9146212 0.81 NPC1 (0.55) NPC1RAB9AMAPK1LTA4HKMT2A
SCHEMBL5766552 0.78 KDM4C (0.41) SMN1; SMN2NPC1RAB9ACYP1A2CYP2C19
SCHEMBL2175726 0.77 HDAC6 (0.45) SMN1; SMN2MAPTHPGDHSD17B10LTA4H
SCHEMBL660014 0.77 MAPT (0.67) SMN1; SMN2NPC1RAB9AMAPTPKM
SCHEMBL3250934 0.77 UBE2T (0.59) MAPTLTA4HKMT2ACYP2A6HRH3
SCHEMBL21954265 0.77 CYP1A2 (0.49) SMN1; SMN2NPC1RAB9AMAPTCYP1A2
SCHEMBL24947150 0.77 OGA (0.38) NPC1RAB9AMAPK1LTA4HCYP2A6
Hydrochloric Acid SCHEMBL21409367 0.76 UBE2T (0.58) CYP1A2CYP2C19LTA4HKMT2ACYP2A6
Hydrochloric Acid SCHEMBL30209137 0.76 UBE2T (0.58) CYP1A2CYP2C19LTA4HKMT2ACYP2A6
SCHEMBL1272683 0.74 NPC1 (0.43) SMN1; SMN2NPC1RAB9APKMLTA4H

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 5 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
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.