SCHEMBL6326326

SCHEMBL6326326

CCc1cccc(-c2noc(CCC(=O)O)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.59
TSHR P16473 2/20 0.58
KMT2A Q03164 2/20 0.58
MITF O75030 1/20 0.58
TP53 P04637 1/20 0.58
NCOA3 Q9Y6Q9 1/20 0.58
LMNA P02545 1/20 0.57
ATM Q13315 1/20 0.57
FFAR1 O14842 6/20 0.55
MAPK1 P28482 4/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
HTT P42858 1/20 0.55
CYP1A2 P05177 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
MCL1 Q07820 1/20 0.52

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
SCHEMBL6326668 0.87 MITF (0.58) ALDH1A1TSHRKMT2AMITFTP53
SCHEMBL6324746 0.87 TSHR (0.55) ALDH1A1TSHRKMT2AMITFTP53
SCHEMBL6324430 0.85 MAPK1 (0.73) ALDH1A1TSHRKMT2ALMNAATM
SCHEMBL6326164 0.83 ALDH1A1 (0.63) ALDH1A1TSHRKMT2AMITFTP53
SCHEMBL13675222 0.82 RAB9A (0.57) TSHRKMT2ATP53LMNAMAPK1
SCHEMBL5330405 0.82 ALDH1A1 (0.83) ALDH1A1TSHRKMT2AMITFTP53
SCHEMBL1544736 0.82 TSHR (0.71) ALDH1A1TSHRKMT2AMITFTP53
SCHEMBL6326480 0.82 MITF (0.74) ALDH1A1TSHRMITFTP53NCOA3
SCHEMBL6325965 0.82 FFAR1 (0.53) ALDH1A1TSHRKMT2AMITFTP53
SCHEMBL6324681 0.81 FFAR1 (0.75) ALDH1A1TSHRKMT2AMITFTP53

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 338/4885TSHR 4656/4885KMT2A 152/4885

“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.