SCHEMBL29528892

SCHEMBL29528892

COc1cccc(-c2nc3ccccc3[nH]2)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.70
RAB9A P51151 9/20 0.70
SMN1; SMN2 Q16637 8/20 0.70
ALDH1A1 P00352 6/20 0.70
KDM4E B2RXH2 6/20 0.70
PKM P14618 2/20 0.70
TP53 P04637 4/20 0.67
HPGD P15428 4/20 0.67
HSD17B10 Q99714 2/20 0.67
NR1I2 O75469 1/20 0.67
CYP1A2 P05177 1/20 0.67
VDR P11473 1/20 0.67
CYP2C9 P11712 1/20 0.67
CYP2B6 P20813 1/20 0.67
AHR P35869 1/20 0.67
NR1I3 Q14994 1/20 0.67
TSHR P16473 1/20 0.67
NFKB1 P19838 1/20 0.67
NFKB2 Q00653 1/20 0.67
RELA Q04206 1/20 0.67

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
SCHEMBL830598 1.00 NPC1 (0.70) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL179157 0.88 NPC1 (0.63) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL19876187 0.88 ALDH1A1 (0.65) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL16147181 0.88 NPC1 (0.70) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL3417301 0.84 NPC1 (0.78) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL23758270 0.83 AURKA (0.55) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL23736199 0.83 TP53 (0.65) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL31679074 0.83 TP53 (0.65) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL31154259 0.83 NPC1 (0.68) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL2242715 0.83 NPC1 (1.00) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12403128-B2 Compositions and methods for blocking sodium channels Univerity of Virginia Patent Foundation (US) 2025-09-02 US disclosed
EP-4554683-A2 METHOD FOR TREATING BREAST CANCERS AND PARP RESISTANT BREAST CANCERS Lantern Pharma Inc. (US) 2025-05-21 EP disclosed
US-12195432-B2 2-arylbenzimidazoles as Ppargc1a activators for treating neurodegenerative diseases THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2025-01-14 US disclosed
US-12186317-B2 Inhibitors of alpha-amino-beta-carboxymuconic acid semialdehyde decarboxylase TES PHARMA S.R.L. (IT) 2025-01-07 US disclosed
WO-2024137505-A2 METHOD OF IMPROVING CELL FITNESS IN AN EX-VIVO CELL POPULATION TRANQUIS THERAPEUTICS, INC. (US) 2024-06-27 WO disclosed
WO-2024016014-A2 METHOD FOR TREATING BREAST CANCERS AND PARP RESISTANT BREAST CANCERS LANTERN PHARMA INC. (US) 2024-01-18 WO disclosed
US-20230381177-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2023-11-30 US disclosed
US-20220354848-A9 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2022-11-10 US disclosed
EP-3526199-B1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S R L (IT) 2022-04-13 EP 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 (5 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-20220354848-A9 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 NPC1 2123/4885RAB9A 3532/4885SMN1; SMN2 1791/4885
US-12403128-B2 Compositions and methods for blocking sodium channels SCN3A, SCN1B, SCN2B NPC1 483/4885RAB9A 2068/4885SMN1; SMN2 228/4885
US-12186317-B2 Inhibitors of alpha-amino-beta-carboxymuconic acid semialdehyde decarboxylase ACMSD, GLS, ALDH7A1 NPC1 2123/4885RAB9A 3532/4885SMN1; SMN2 1791/4885
US-12195432-B2 2-arylbenzimidazoles as Ppargc1a activators for treating neurodegenerative diseases PPARG, PPARA, PPARD NPC1 989/4885RAB9A 2214/4885SMN1; SMN2 39/4885
US-20230381177-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 NPC1 2123/4885RAB9A 3532/4885SMN1; SMN2 1791/4885

“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.