SCHEMBL6324564

SCHEMBL6324564

O=c1[nH]nc(NCCCNCc2nc(-c3ccccc3)no2)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ TSHR P16473 2/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ MAPT P10636 6/20 0.43
▸ POLB P06746 1/20 0.43
▸ HDAC1 Q13547 2/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ LMNA P02545 2/20 0.42
▸ KCNH2 Q12809 1/20 0.40
▸ AURKB Q96GD4 1/20 0.40
▸ NOTUM Q6P988 1/20 0.39
▸ TNKS O95271 1/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ TNKS2 Q9H2K2 1/20 0.39
▸ PARP2 Q9UGN5 1/20 0.39

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
SCHEMBL5072062 0.90 MAPT (0.44) ALDH1A1KMT2ASMN1; SMN2TSHRMEN1
SCHEMBL6328370 0.90 KMT2A (0.48) ALDH1A1KMT2ASMN1; SMN2TSHRMEN1
SCHEMBL6326079 0.84 HCAR2 (0.41) ALDH1A1KMT2ATSHRMEN1MAPT
SCHEMBL6327904 0.83 HPGD (0.59) ALDH1A1KMT2ASMN1; SMN2TSHRMEN1
SCHEMBL6332801 0.82 HPGD (0.53) ALDH1A1KMT2ASMN1; SMN2TSHRMEN1
SCHEMBL6324028 0.81 HPGD (0.59) ALDH1A1KMT2ASMN1; SMN2TSHRMEN1
SCHEMBL6328158 0.80 HPGD (0.53) ALDH1A1KMT2ASMN1; SMN2TSHRMEN1
SCHEMBL6325765 0.79 ALDH1A1 (0.54) ALDH1A1KMT2ASMN1; SMN2TSHRMEN1
SCHEMBL6327874 0.79 AURKB (0.50) KMT2ARAB9APOLBAURKBPARP1
SCHEMBL6323211 0.79 CYP1A2 (0.60) ALDH1A1KMT2ASMN1; SMN2TSHRMEN1

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-6924284-B2 PARP inhibitors ICOS CORPORATION (US) 2005-08-02 — — US disclosed
US-20040087588-A1 Parp inhibitors ICOS CORPORATION 2004-05-06 — — US 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-20040087588-A1 Parp inhibitors PARP1, PARP2, PARP11 ALDH1A1 338/4885KMT2A 152/4885SMN1; SMN2 3494/4885

“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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