SCHEMBL30418652

SCHEMBL30418652

COc1cc(Sc2ccccc2)cc(OC)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 4/20 0.43
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
HPGD P15428 2/20 0.41
PDE7A Q13946 2/20 0.41
PDE7B Q9NP56 1/20 0.41
PKM P14618 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
HTR6 P50406 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40

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
SCHEMBL2904377 0.81 ALDH1A1 (0.56) TDP1ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL25191976 0.75 TDP1 (0.47) TDP1ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL15955737 0.75 PDE7A (0.55) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL1961457 0.74 TDP1 (0.63) TDP1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL25525197 0.74 EP300 (0.44) TDP1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL25525198 0.74 HTR6 (0.44) TDP1ALDH1A1MAPTL3MBTL1HTR6
SCHEMBL8865840 0.74 PDE7A (0.62) TDP1ALDH1A1MAPTLMNAMEN1
SCHEMBL11662398 0.72 TDP1 (0.51) TDP1ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL7571419 0.71 ALDH1A1 (0.55) TDP1ALDH1A1MAPTLMNAL3MBTL1
SCHEMBL25525199 0.71 HTR6 (0.42) TDP1ALDH1A1MAPTSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250136556-A1 NOVEL MODULATORS OF THE ARYL HYDROCARBON RECEPTOR AND METHODS OF USE THEREOF ALLIANTHERA BOSTON INC. 2025-05-01 US disclosed
CN-118748992-A Novel modulators of aryl hydrocarbon receptors and methods of use thereof 元启(苏州)生物制药有限公司 2024-10-08 CN disclosed
EP-4430028-A2 NOVEL MODULATORS OF THE ARYL HYDROCARBON RECEPTOR AND METHODS OF USE THEREOF Allianthera (Suzhou) Biopharmaceutical Co., Ltd. (CN) 2024-09-18 EP disclosed
WO-2023086428-A2 NOVEL MODULATORS OF THE ARYL HYDROCARBON RECEPTOR AND METHODS OF USE THEREOF ALLIANTHERA (SUZHOU) BIOPHARMACEUTICAL CO., LTD. (CN) 2023-05-19 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 (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-20250136556-A1 NOVEL MODULATORS OF THE ARYL HYDROCARBON RECEPTOR AND METHODS OF USE THEREOF AHR, ARNT, NR1H2 TDP1 3575/4885ALDH1A1 469/4885MAPT 4822/4885

“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.