SCHEMBL29703248

SCHEMBL29703248

O=c1c2ccccc2cnn1-c1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 1.00
RAB9A P51151 8/20 1.00
SMN1; SMN2 Q16637 8/20 1.00
LMNA P02545 2/20 1.00
KMT2A Q03164 2/20 0.72
MEN1 O00255 1/20 0.72
GLA P06280 1/20 0.72
NFKB1 P19838 1/20 0.72
NFKB2 Q00653 1/20 0.72
RELA Q04206 1/20 0.72
ALDH1A1 P00352 5/20 0.68
POLB P06746 1/20 0.68
PLA2G10 O15496 1/20 0.67
CA12 O43570 1/20 0.65
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
CA9 Q16790 1/20 0.65
GAA P10253 2/20 0.55
GRM1 Q13255 3/20 0.51
GRM5 P41594 2/20 0.51

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
SCHEMBL7884767 1.00 NPC1 (1.00) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL4238032 0.86 RAB9A (0.76) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL29703258 0.86 RAB9A (0.76) NPC1RAB9ASMN1; SMN2LMNAKMT2A
Hydrochloric Acid SCHEMBL30088977 0.85 RAB9A (0.73) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL29710433 0.84 NPC1 (0.73) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL28766363 0.84 NPC1 (0.73) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL4233263 0.84 RAB9A (0.72) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL1902033 0.84 NPC1 (0.72) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL7884958 0.84 SMN1; SMN2 (0.72) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL29703282 0.84 SMN1; SMN2 (0.72) NPC1RAB9ASMN1; SMN2LMNAKMT2A

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
CN-114560814-B Synthesis method of substituted 2, 3-naphthyridine ketone compound 天津理工大学 2023-10-20 CN disclosed
US-20220235011-A1 PHTHALAZINONE COMPOUNDS AND USE THEREOF ST PHARM CO., LTD. (KR) 2022-07-28 US disclosed
CN-114560814-A Synthesis method of substituted 2, 3-phthalazinone compound 天津理工大学 2022-05-31 CN 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-20220235011-A1 PHTHALAZINONE COMPOUNDS AND USE THEREOF SIRT6, SIRT1, SIRT2 NPC1 1087/4885RAB9A 1699/4885SMN1; SMN2 1246/4885

“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.