SCHEMBL7678700

SCHEMBL7678700

N#CCc1ccc(C(=O)c2ccc(F)cc2)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ ALPG P10696 2/20 0.43
▸ LTA4H P09960 1/20 0.41
▸ HPGD P15428 3/20 0.39
▸ USP2 O75604 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ CES2 O00748 1/20 0.36
▸ CES1 P23141 1/20 0.36
▸ VNN1 O95497 1/20 0.35
▸ PTPN1 P18031 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ KDR P35968 1/20 0.34

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
SCHEMBL7678669 0.85 NPC1 (0.41) LMNASMN1; SMN2ALDH1A1HPGDHTT
SCHEMBL7678288 0.85 ALDH1A1 (0.44) LMNASMN1; SMN2ALDH1A1HPGDUSP2
SCHEMBL7685026 0.84 MEN1 (0.48) LMNASMN1; SMN2ALDH1A1ALPGHPGD
SCHEMBL7685125 0.81 RAB9A (0.53) LMNASMN1; SMN2ALDH1A1HPGDNPSR1
SCHEMBL7674517 0.78 LTA4H (0.43) ALDH1A1LTA4HHPGDCES2CES1
SCHEMBL7684478 0.72 TAS1R3 (0.40) LMNASMN1; SMN2ALDH1A1HTTNPC1
SCHEMBL3821306 0.70 CYP2A6 (0.44) ALDH1A1NPC1RAB9ACA1CA2
SCHEMBL7682468 0.69 HTT (0.42) SMN1; SMN2ALDH1A1HTTNPC1RAB9A
SCHEMBL28404248 0.67 EGFR (0.48) LMNASMN1; SMN2ALDH1A1ALPGHPGD
SCHEMBL11056573 0.67 MAPT (0.45) LMNASMN1; SMN2ALDH1A1ALPGLTA4H

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 LMNA 2230/4885SMN1; SMN2 2392/4885ALDH1A1 208/4885

“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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