SCHEMBL7682180

SCHEMBL7682180

Cc1ccccc1C(=O)c1ccc(CC#N)n1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
CXCL8 P10145 1/20 0.39
AKR1B1 P15121 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
GLO1 Q04760 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MYC P01106 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
RAB9A P51151 1/20 0.35
ERCC5 P28715 1/20 0.35
FEN1 P39748 1/20 0.35
ENPP3 O14638 1/20 0.35
ALPL P05186 1/20 0.35

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
SCHEMBL7678327 0.85 CNR2 (0.41) ALDH1A1HTTCXCL8AKR1B1PTGS1
SCHEMBL7683436 0.81 CXCL8 (0.51) ALDH1A1CXCL8AKR1B1PTGS1PTGS2
SCHEMBL7682070 0.80 PTGS2 (0.61) ALDH1A1HTTCXCL8AKR1B1PTGS1
SCHEMBL3991644 0.77 CXCL8 (0.65) ALDH1A1CXCL8AKR1B1PTGS1PTGS2
SCHEMBL11609368 0.76 HTT (0.44) ALDH1A1HTTLMNAGAAHPGD
SCHEMBL11494142 0.76 ALDH1A1 (0.48) ALDH1A1HTTPTGS2LMNASMN1; SMN2
SCHEMBL7674645 0.75 PGR (0.46) ALDH1A1HTTPTGS1PTGS2LMNA
SCHEMBL7678469 0.75 SMN1; SMN2 (0.51) ALDH1A1KDM4ELMNASMN1; SMN2KMT2A
SCHEMBL3997065 0.74 CXCL8 (0.36) ALDH1A1CXCL8AKR1B1PTGS1PTGS2
SCHEMBL10936467 0.74 ALDH1A1 (0.47) ALDH1A1HTTKDM4ELMNAGAA

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
US-6455703-B2 ADMINISTERING EFFECTIVE AMOUNT OF 1,3,6-TRIHYDRO-6-AZA-3-OXAPENTALEN-2-ONE DERIVATIVE TO THE PATIENT FOR INDUCING OR PROMOTING APOPTOSIS AND FOR ARRESTING UNCONTROLLED NEOPLASTIC CELL PROLIFERATION CELL PATHWAYS, INC. 2002-09-24 US disclosed
US-20010051651-A1 1,3,6,-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia OSI PHARMACEUTICALS, INC. 2001-12-13 US disclosed
US-6160003-A 1,3,6-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia CELL PATHWAYS, INC. (US) 2000-12-12 US disclosed
US-5939417-A 1,3,6-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia CELL PATHWAYS INC (US) 1999-08-17 US disclosed
US-3952012-A MULTISTAGE MCNEIL LABORATORIES, INCORPORATED (US) 1976-04-20 US 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-20010051651-A1 1,3,6,-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia MALT1, VHL, CDKN1A ALDH1A1 208/4885HTT 2603/4885CXCL8 3828/4885

“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.