SCHEMBL7685026

SCHEMBL7685026

N#CCc1ccc(C(=O)c2ccccc2)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ HPGD P15428 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ CRHBP P24387 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ ATM Q13315 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ SRD5A2 P31213 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ ALPG P10696 1/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ SCD O00767 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 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
SCHEMBL7678700 0.84 LMNA (0.43) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL7678288 0.84 ALDH1A1 (0.44) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL7685125 0.81 RAB9A (0.53) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL12404438 0.78 ALDH1A1 (0.45) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL7678571 0.78 SRD5A2 (0.46) MEN1KMT2AHPGDALDH1A1CRHBP
SCHEMBL7684478 0.72 TAS1R3 (0.40) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL11813950 0.72 TSHR (0.45) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL10936301 0.71 ALDH1A1 (0.54) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL7682468 0.71 HTT (0.42) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL7492979 0.70 KMT2A (0.54) MEN1KMT2AHPGDALDH1A1MAPT

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 MEN1 180/4885KMT2A 514/4885HPGD 363/4885

“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.

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