SCHEMBL26667209

SCHEMBL26667209

O=C1C=CC(=O)N1c1cc(Cl)cc([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPN P05981 1/20 0.60
▸ CCR6 P51684 4/20 0.53
▸ ALDH1A1 P00352 6/20 0.49
▸ MAPT P10636 2/20 0.49
▸ PKM P14618 2/20 0.49
▸ GAA P10253 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ MGLL Q99685 4/20 0.46
▸ TDP1 Q9NUW8 2/20 0.43
▸ HSP90AA1 P07900 2/20 0.41
▸ HPGD P15428 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ NLRP1 Q9C000 1/20 0.40
▸ FAAH O00519 2/20 0.39
▸ TSHR P16473 1/20 0.38
▸ SCN2A Q99250 1/20 0.38
▸ NSD2 O96028 1/20 0.38
▸ G6PD P11413 1/20 0.38
▸ KEAP1 Q14145 1/20 0.38

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
SCHEMBL30645229 1.00 HPN (0.60) HPNCCR6ALDH1A1MAPTPKM
SCHEMBL10587599 0.89 HPN (0.68) HPNCCR6ALDH1A1MAPTPKM
SCHEMBL17044675 0.89 HPN (0.68) HPNCCR6ALDH1A1MAPTPKM
SCHEMBL5078820 0.78 MGLL (0.62) CCR6ALDH1A1MAPTPKMMAPK1
SCHEMBL3171879 0.78 MGLL (0.62) CCR6ALDH1A1MAPTPKMMAPK1
Nitrogen SCHEMBL9840130 0.76 CYP19A1 (0.56) ALDH1A1MAPK1TDP1HTTTSHR
SCHEMBL204235 0.76 ALDH1A1 (0.61) ALDH1A1MAPK1TDP1HTTTSHR
SCHEMBL1943699 0.76 CYP19A1 (0.62) ALDH1A1MAPK1TDP1HTTTSHR
SCHEMBL2029909 0.75 HPN (1.00) HPNALDH1A1MAPTPKMGAA
SCHEMBL30532190 0.75 HPN (1.00) HPNALDH1A1MAPTPKMGAA

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
EP-4525864-A2 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MANAGING SICKLE CELL DISEASE AND CONDITIONS RELATED THERETO Emory University (US) 2025-03-26 — — EP claimed
WO-2023225300-A2 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MANAGING SICKLE CELL DISEASE AND CONDITIONS RELATED THERETO EMORY UNIVERSITY (US) 2023-11-23 — — WO claimed
US-20250361243-A1 Compounds and Pharmaceutical Compositions Useful for Managing Sickle Cell Disease and Conditions Related Thereto UNIV EMORY (US) 2025-11-27 — — US disclosed
WO-2023225300-A2 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MANAGING SICKLE CELL DISEASE AND CONDITIONS RELATED THERETO EMORY UNIVERSITY (US) 2023-11-23 — — 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-20250361243-A1 Compounds and Pharmaceutical Compositions Useful for Managing Sickle Cell Disease and Conditions Related Thereto THPO, HBG1, HBG2 HPN 1161/4885CCR6 774/4885ALDH1A1 84/4885

“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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