SCHEMBL6328017

SCHEMBL6328017

O=C(CCc1nc(-c2cccc(Cl)c2F)no1)NCCCNc1n[nH]c(=O)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
LMNA P02545 3/20 0.53
GAA P10253 2/20 0.53
NPSR1 Q6W5P4 2/20 0.46
MAPK1 P28482 2/20 0.45
TSHR P16473 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 3/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL6326450 0.92 ALDH1A1 (0.54) ALDH1A1LMNAGAANPSR1MAPK1
SCHEMBL6332651 0.91 ALDH1A1 (0.51) ALDH1A1LMNAGAANPSR1MAPK1
SCHEMBL6333326 0.88 NPSR1 (0.50) ALDH1A1LMNAGAANPSR1MAPK1
SCHEMBL6332476 0.87 NPSR1 (0.47) ALDH1A1LMNAGAANPSR1MAPK1
SCHEMBL6330709 0.86 ALDH1A1 (0.47) ALDH1A1LMNAGAANPSR1MAPK1
SCHEMBL6326111 0.85 TSHR (0.51) ALDH1A1LMNAGAAMAPK1TSHR
SCHEMBL6323594 0.85 TSHR (0.51) ALDH1A1LMNAGAAMAPK1TSHR
SCHEMBL6333108 0.84 HPGD (0.46) ALDH1A1LMNAGAATSHRSMN1; SMN2
SCHEMBL6327904 0.84 HPGD (0.59) ALDH1A1LMNAGAAMAPK1TSHR
SCHEMBL6331242 0.84 HPGD (0.48) ALDH1A1LMNAGAAMAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1423120-A4 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORP (US) 2005-12-28 EP disclosed
US-6924284-B2 PARP inhibitors ICOS CORPORATION (US) 2005-08-02 US disclosed
EP-1423120-A1 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORPORATION (US) 2004-06-02 EP disclosed
US-20040087588-A1 Parp inhibitors ICOS CORPORATION 2004-05-06 US disclosed
WO-2003015785-A1 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORPORATION (US) 2003-02-27 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-20040087588-A1 Parp inhibitors PARP1, PARP2, PARP11 ALDH1A1 338/4885LMNA 448/4885GAA 2424/4885

“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.