SCHEMBL20143351

SCHEMBL20143351

C=C/C=C\C(=C/C)Nc1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 9/20 0.46
▸ RAB9A P51151 9/20 0.46
▸ PKM P14618 4/20 0.46
▸ GAA P10253 2/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ ATG4B Q9Y4P1 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ PIM1 P11309 1/20 0.41

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
SCHEMBL22839376 0.83 NPC1 (0.52) NPC1RAB9APKMGAASMN1; SMN2
SCHEMBL16657872 0.76 RAB9A (0.50) NPC1RAB9APKMGAASMN1; SMN2
SCHEMBL19057796 0.75 TGM2 (0.44) NPC1RAB9AGAASMN1; SMN2KDM4E
SCHEMBL18639384 0.75 SMN1; SMN2 (0.50) NPC1RAB9APKMGAASMN1; SMN2
SCHEMBL22268029 0.71 GAA (0.42) NPC1RAB9APKMGAAKDM4E
SCHEMBL20143328 0.71 NPC1 (0.45) NPC1RAB9APKMGAASMN1; SMN2
SCHEMBL19269582 0.71 NPC1 (0.45) NPC1RAB9APKMGAASMN1; SMN2
SCHEMBL21594549 0.70 MAPT (0.46) RAB9AGAASMN1; SMN2ALDH1A1MAPT
SCHEMBL21583063 0.70 NPC1 (0.44) NPC1RAB9APKMGAASMN1; SMN2
SCHEMBL19709471 0.70 SCN9A (0.37) —

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-20230346765-A1 METHODS OF TREATING XANTHINE OXIDASE-RELATED DISEASES WITH NIFLUMIC ACID AND DERIVATIVES THEREOF BAYLOR COLLEGE OF MEDICINE (US) 2023-11-02 — — US disclosed
US-20200239444-A1 COMPOUNDS USEFUL FOR TREATING CANCER ABIVAX (FR) 2020-07-30 — — US disclosed
US-10717724-B2 Compounds useful for treating cancer ABIVAX (FR) 2020-07-21 — — US disclosed
US-20180222888-A1 COMPOUNDS USEFUL FOR TREATING CANCER ABIVAX (FR) 2018-08-09 — — US disclosed
US-9969715-B2 Compounds useful for treating cancer ABIVAX (FR) 2018-05-15 — — US 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 (4 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-20180222888-A1 COMPOUNDS USEFUL FOR TREATING CANCER PRMT7, PRMT6, RRM2 NPC1 1881/4885RAB9A 2467/4885PKM 3074/4885
US-20230346765-A1 METHODS OF TREATING XANTHINE OXIDASE-RELATED DISEASES WITH NIFLUMIC ACID AND DERIVATIVES THEREOF XDH, PNPO, PNP NPC1 441/4885RAB9A 3210/4885PKM 1333/4885
US-10717724-B2 Compounds useful for treating cancer PRMT7, PRMT6, RRM2 NPC1 1881/4885RAB9A 2467/4885PKM 3074/4885
US-20200239444-A1 COMPOUNDS USEFUL FOR TREATING CANCER PRMT7, PRMT6, RRM2 NPC1 2247/4885RAB9A 2637/4885PKM 2818/4885

“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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