SCHEMBL1784262

SCHEMBL1784262

COc1cc(C(=O)N2CCCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.59
LMNA P02545 3/20 0.59
HPGD P15428 4/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
HSD17B10 Q99714 1/20 0.56
RAB9A P51151 1/20 0.55
KDM4E B2RXH2 1/20 0.54
MAPT P10636 1/20 0.52
GAA P10253 2/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NOD2 Q9HC29 1/20 0.51
POLB P06746 1/20 0.50
SIRT6 Q8N6T7 1/20 0.50

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
SCHEMBL15880409 0.94 ALDH1A1 (0.58) ALDH1A1LMNAL3MBTL1MEN1KMT2A
SCHEMBL11297785 0.90 ALDH1A1 (0.54) ALDH1A1LMNAL3MBTL1MEN1KMT2A
SCHEMBL12312127 0.90 ALDH1A1 (0.54) ALDH1A1LMNAHPGDL3MBTL1MEN1
SCHEMBL520107 0.90 SIRT6 (0.61) ALDH1A1LMNAL3MBTL1MEN1KMT2A
SCHEMBL5410268 0.88 ALDH1A1 (0.51) ALDH1A1LMNAHPGDL3MBTL1MEN1
SCHEMBL11299599 0.88 PKM (0.52) ALDH1A1LMNAHPGDL3MBTL1MEN1
SCHEMBL29833145 0.88 ALDH1A1 (0.71) ALDH1A1LMNAL3MBTL1MEN1KMT2A
SCHEMBL12312156 0.88 ALDH1A1 (0.71) ALDH1A1LMNAL3MBTL1MEN1KMT2A
Hydrochloric Acid SCHEMBL29753302 0.87 PKM (0.51) ALDH1A1LMNAHPGDL3MBTL1MEN1
SCHEMBL16982450 0.87 ALDH1A1 (0.53) ALDH1A1LMNAHPGDL3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4605392-A1 METHODS FOR TREATING CANCER Antares Therapeutics, Inc. (US) 2025-08-27 EP disclosed
WO-2024086809-A1 METHODS FOR TREATING CANCER SCORPION THERAPEUTICS, INC. (US) 2024-04-25 WO disclosed
US-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-07 US disclosed
US-20110118238-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-05-19 US disclosed
EP-2212326-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2010-08-04 EP disclosed
WO-2009024824-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2009-02-26 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 (2 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-20110118238-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS BUB1, BUB1B, TTBK1 ALDH1A1 2972/4885LMNA 1686/4885HPGD 4223/4885
US-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 ALDH1A1 4827/4885LMNA 2078/4885HPGD 4476/4885

“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.