Sugi Predict

Sugi Predict / Compounds / SCHEMBL7681044

SCHEMBL7681044

SCHEMBL7681044

Cc1ccc(C(=O)c2ccc(CC#N)n2Cc2ccccc2)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ ALDH1A1 P00352 4/20 0.41
▸ SMN1; SMN2 Q16637 6/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ RECQL P46063 1/20 0.39
▸ CES2 O00748 1/20 0.39
▸ CES1 P23141 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MAPT P10636 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ MITF O75030 1/20 0.38

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
SCHEMBL7684729 0.86 PTGS2 (0.47) MEN1KMT2ATSHRALDH1A1SMN1; SMN2
SCHEMBL7675498 0.85 MEN1 (0.50) MEN1KMT2ATSHRALDH1A1SMN1; SMN2
SCHEMBL7678142 0.83 CNR2 (0.45) MEN1KMT2ATSHRALDH1A1SMN1; SMN2
SCHEMBL7682239 0.82 KMT2A (0.43) MEN1KMT2ATSHRALDH1A1SMN1; SMN2
SCHEMBL11810290 0.81 TSHR (0.46) MEN1KMT2ATSHRALDH1A1RECQL
SCHEMBL7678957 0.80 MAPK1 (0.47) MEN1KMT2ATSHRALDH1A1SMN1; SMN2
SCHEMBL7683639 0.77 ALDH1A1 (0.43) MEN1KMT2ATSHRALDH1A1SMN1; SMN2
SCHEMBL7678477 0.75 SMN1; SMN2 (0.43) MEN1KMT2ATSHRALDH1A1SMN1; SMN2
SCHEMBL11811258 0.74 MEN1 (0.43) MEN1KMT2AALDH1A1POLBNPC1
SCHEMBL7680952 0.74 ALDH1A1 (0.43) MEN1KMT2ATSHRALDH1A1SMN1; SMN2

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 514/4885TSHR 2892/4885

“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.