SCHEMBL30820428

SCHEMBL30820428

COCCOc1cc2[nH]cnc(=O)c2cc1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.37
MAPT P10636 4/20 0.37
LMNA P02545 3/20 0.37
MAPK1 P28482 1/20 0.37
CHEK1 O14757 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 4/20 0.35
NPC1 O15118 3/20 0.35
RECQL P46063 2/20 0.35
KDM4E B2RXH2 2/20 0.35
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
S1PR4 O95977 1/20 0.34
NQO2 P16083 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
HTT P42858 1/20 0.34
CTSB P07858 1/20 0.34
MEN1 O00255 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
SCHEMBL4374725 0.85 PRSS1 (0.36) ALDH1A1MAPTMAPK1CHEK1RAB9A
SCHEMBL263796 0.84 EGFR (0.39) ALDH1A1MAPK1KDM4EHTT
SCHEMBL642058 0.81 PARP1 (0.47) ALDH1A1MAPTLMNAMAPK1CHEK1
SCHEMBL17675190 0.81 ALDH1A1 (0.39) ALDH1A1MAPTLMNAMAPK1CHEK1
SCHEMBL30477174 0.78 CYP1A2 (0.47) ALDH1A1MAPTLMNACHEK1RAB9A
SCHEMBL5495216 0.78 KDM4E (0.41) ALDH1A1LMNAMAPK1CHEK1HPGD
SCHEMBL31327471 0.75 LMNA (0.51) ALDH1A1MAPTLMNAMAPK1HPGD
SCHEMBL12488897 0.74 CYP3A4 (0.41) ALDH1A1MAPTLMNAHPGDKMT2A
SCHEMBL1507518 0.73 CA12 (0.48) MAPT
SCHEMBL11491570 0.73 MEN1 (0.46) ALDH1A1MAPTLMNAHPGDRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240246940-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF VORONOI INC. (KR) 2024-07-25 US disclosed
CN-117693505-A Heteroaryl derivative compounds and uses thereof 沃若诺伊公司 2024-03-12 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-20240246940-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF ERBB2, EGFR, ERBB3 ALDH1A1 3064/4885MAPT 3248/4885LMNA 4750/4885

“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.