SCHEMBL6325405

SCHEMBL6325405

N=C(NO)c1cccc(Cl)c1F

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 2/20 0.44
POLB P06746 1/20 0.38
ALDH1A1 P00352 1/20 0.36
NOTUM Q6P988 1/20 0.36
KMO O15229 1/20 0.36
TSHR P16473 1/20 0.34
HDAC4 P56524 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
P2RX7 Q99572 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
BACE1 P56817 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
JAK2 O60674 1/20 0.33

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
SCHEMBL3625689 0.80 TSHR (0.50) POLBALDH1A1TSHRP2RX7MEN1
SCHEMBL641272 0.80 CES2 (0.52) KAT6AALDH1A1HDAC4MEN1KMT2A
SCHEMBL641433 0.79 POLB (0.54) POLBALDH1A1TSHRCYP11B2MEN1
SCHEMBL397462 0.77 MAPT (0.42) POLBALDH1A1HDAC4MEN1KMT2A
SCHEMBL27971210 0.76 BACE1 (0.42) KAT6AALDH1A1NOTUMKMOTSHR
SCHEMBL22396469 0.76 ALB (0.44) ALDH1A1NOTUMTSHRCES2CES1
Hydrochloric Acid SCHEMBL28075763 0.74 BACE1 (0.41) KAT6ANOTUMTSHRCYP11B1CYP11B2
SCHEMBL17063968 0.73 KAT6A (0.48) KAT6APOLBALDH1A1
SCHEMBL1855925 0.73 ALDH1A1 (0.44) POLBALDH1A1TSHRHDAC4JAK2
Hydrochloric Acid SCHEMBL28436907 0.72 GAA (0.46) POLBHDAC4MEN1KMT2ABACE1

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-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
CN-1568187-A 2H-2,3-dinitrogen phenodiazine-1-ketone and using method thereof ICOS CORP (US) 2005-01-19 CN 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 KAT6A 445/4885POLB 54/4885ALDH1A1 338/4885

“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.