SCHEMBL6689801

SCHEMBL6689801

O=C(NCCN1CCOCC1)c1ccc2c(c1)[nH]c(=O)c1cc(F)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 1.00
HTR3A P46098 5/20 0.68
CD274 Q9NZQ7 1/20 0.59
HSD17B10 Q99714 1/20 0.58
EPHX2 P34913 1/20 0.55
CACNA1G O43497 1/20 0.54
ALDH1A1 P00352 2/20 0.54
TNKS2 Q9H2K2 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
POLB P06746 1/20 0.53
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53

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
SCHEMBL6686759 0.89 PARP1 (1.00) PARP1HTR3ACD274HSD17B10ALDH1A1
SCHEMBL2483444 0.83 PARP1 (0.89) PARP1HTR3AHSD17B10ALDH1A1MEN1
SCHEMBL10132619 0.82 PARP1 (0.72) PARP1HTR3AHSD17B10ALDH1A1TNKS2
SCHEMBL6690145 0.78 PARP1 (0.65) PARP1ALDH1A1KMT2APOLBCYP2D6
SCHEMBL2615238 0.78 CD274 (0.92) CD274EPHX2ALDH1A1POLBLMNA
SCHEMBL2615239 0.78 CD274 (0.92) CD274EPHX2ALDH1A1POLBLMNA
SCHEMBL29584690 0.76 CYP2C19 (0.69) PARP1CD274EPHX2ALDH1A1POLB
SCHEMBL3344406 0.74 PARP1 (0.83) PARP1HTR3ACD274HSD17B10ALDH1A1
SCHEMBL13943783 0.73 HTR3A (0.81) PARP1HTR3AHSD17B10CACNA1GALDH1A1
Hydrochloric Acid SCHEMBL11864237 0.73 PARP1 (0.58) PARP1ALDH1A1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6723733-B2 POLYMERASE INHIBITOR GUILFORD PHARMACEUTICALS, INC. 2004-04-20 US disclosed
US-20020006927-A1 Sulfonamide and carbamide derivatives of 6(5H)phenanthridinones and their uses EISAI INC. 2002-01-17 US disclosed
WO-2001090077-A1 SULFONAMIDE AND CARBAMIDE DERIVATIVES OF 6(5H)PHENANTHRIDINONES AND THEIR USES GUILFORD PHARMACEUTICALS, INC. (US) 2001-11-29 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-20020006927-A1 Sulfonamide and carbamide derivatives of 6(5H)phenanthridinones and their uses PARP1, PARP2, PARP6 PARP1 1/4885HTR3A 444/4885CD274 1913/4885

“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.