SCHEMBL6328340

SCHEMBL6328340

N=C(NO)c1ccc2c(c1)CCO2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.58
HDAC3 O15379 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
TAS1R3 Q7RTX0 3/20 0.47
TAS1R1 Q7RTX1 3/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
GPR183 P32249 2/20 0.43
CTNNB1 P35222 1/20 0.40
WNT3A P56704 1/20 0.40
MAPT P10636 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
SCHEMBL7990191 0.81 PRKCI (0.69) PRKCIHDAC3HDAC1HDAC2HDAC8
SCHEMBL11022359 0.75 PRKCI (0.66) PRKCIHDAC3HDAC1HDAC2HDAC8
SCHEMBL201542 0.74 ALDH1A1 (0.55) RAB9ANPC1MAPT
SCHEMBL2176489 0.74 PRKCI (0.69) PRKCIHDAC3HDAC1HDAC2HDAC8
SCHEMBL1395976 0.74 PRKCI (0.64) PRKCIHDAC3HDAC1HDAC2HDAC8
SCHEMBL29503137 0.74 PRKCI (0.69) PRKCIHDAC3HDAC1HDAC2HDAC8
SCHEMBL3544882 0.74 PRKCI (1.00) PRKCIHDAC3HDAC1HDAC2HDAC8
SCHEMBL19204501 0.73 PRKCI (0.63) PRKCITAS1R3TAS1R1RAB9ANPC1
SCHEMBL21634970 0.73 PRKCI (0.54) PRKCITAS1R3TAS1R1RAB9ANPC1
SCHEMBL23222198 0.72 PRKCI (0.62) PRKCIHDAC3HDAC1HDAC2HDAC8

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 PRKCI 1183/4885HDAC3 16/4885HDAC1 19/4885

“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.