SCHEMBL30329704

SCHEMBL30329704

CNc1cc(C)nc(Nc2cc(O)c3c(c2)OCO3)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ KDM4E B2RXH2 5/20 0.36
▸ MAPT P10636 5/20 0.36
▸ KCNH2 Q12809 1/20 0.35
▸ HAVCR2 Q8TDQ0 1/20 0.35
▸ ALDH1A1 P00352 5/20 0.34
▸ HPGD P15428 4/20 0.34
▸ HSD17B10 Q99714 3/20 0.34
▸ NOS3 P29474 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ABCB1 P08183 1/20 0.33
▸ ABCC1 P33527 1/20 0.33
▸ ABCG2 Q9UNQ0 1/20 0.33

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
SCHEMBL25166455 1.00 NPC1 (0.38) NPC1RAB9ASMN1; SMN2KMT2AKDM4E
SCHEMBL30329752 0.90 ABCB1 (0.40) NPC1RAB9ASMN1; SMN2KMT2AKDM4E
SCHEMBL30329812 0.82 HAVCR2 (0.43) NPC1RAB9ASMN1; SMN2KMT2AKDM4E
SCHEMBL25166581 0.82 HAVCR2 (0.43) NPC1RAB9ASMN1; SMN2KMT2AKDM4E
SCHEMBL30330226 0.78 EPHB4 (0.35) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL25166694 0.78 EPHB4 (0.35) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL30330007 0.75 NPC1 (0.32) NPC1RAB9ASMN1; SMN2KMT2AKDM4E
SCHEMBL30330176 0.75 NPC1 (0.32) NPC1RAB9ASMN1; SMN2KMT2AKDM4E
SCHEMBL25166186 0.74 EHMT2 (0.51) NPC1RAB9ASMN1; SMN2KMT2AKCNH2
SCHEMBL30330220 0.74 EHMT2 (0.51) NPC1RAB9ASMN1; SMN2KMT2AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240368139-A1 NOVEL MODULATORS OF EHMT1 AND EHMT2 AND THERAPEUTIC USE THEREOF TANGO THERAPEUTICS, INC. 2024-11-07 — — US disclosed
CN-118647610-A Novel modulators of EHMT1 and EHMT2 and therapeutic uses thereof 探戈医药股份有限公司 2024-09-13 — — CN disclosed
EP-4416143-A1 NOVEL MODULATORS OF EHMT1 AND EHMT2 AND THERAPEUTIC USE THEREOF Tango Therapeutics, Inc. (US) 2024-08-21 — — EP disclosed
WO-2023064586-A1 NOVEL MODULATORS OF EHMT1 AND EHMT2 AND THERAPEUTIC USE THEREOF TANGO THERAPEUTICS, INC. (US) 2023-04-20 — — 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-20240368139-A1 NOVEL MODULATORS OF EHMT1 AND EHMT2 AND THERAPEUTIC USE THEREOF EHMT1, EHMT2, SHMT1 NPC1 2169/4885RAB9A 3332/4885SMN1; SMN2 2791/4885

“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.

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