SCHEMBL6328342

SCHEMBL6328342

NC(=NO)c1ccc2c(c1)CCO2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.65
RAB9A P51151 3/20 0.48
NPC1 O15118 1/20 0.48
TAS1R3 Q7RTX0 3/20 0.45
TAS1R1 Q7RTX1 3/20 0.45
DYRK1A Q13627 2/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.42
CTNNB1 P35222 1/20 0.41
WNT3A P56704 1/20 0.41
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC10 Q969S8 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
SCHEMBL2244076 0.81 POLB (0.68) PRKCIRAB9ANPC1TAS1R3TAS1R1
SCHEMBL1467573 0.81 PRKCI (0.58) PRKCIRAB9ANPC1TAS1R3TAS1R1
SCHEMBL1467572 0.81 PRKCI (0.58) PRKCIRAB9ANPC1TAS1R3TAS1R1
SCHEMBL2244079 0.81 POLB (0.68) PRKCIRAB9ANPC1TAS1R3TAS1R1
SCHEMBL2176489 0.79 PRKCI (0.69) PRKCIRAB9ANPC1TAS1R3TAS1R1
SCHEMBL3544882 0.79 PRKCI (1.00) PRKCIRAB9ANPC1TAS1R3TAS1R1
SCHEMBL7990191 0.79 PRKCI (0.69) PRKCIRAB9ANPC1TAS1R3TAS1R1
SCHEMBL29503137 0.79 PRKCI (0.69) PRKCIRAB9ANPC1TAS1R3TAS1R1
Hydrochloric Acid SCHEMBL28130087 0.77 PRKCI (0.67) PRKCIRAB9ANPC1TAS1R3TAS1R1
SCHEMBL11022359 0.77 PRKCI (0.66) PRKCIRAB9ANPC1TAS1R3TAS1R1

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 1183/4885RAB9A 4452/4885NPC1 3350/4885

“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.