SCHEMBL3009469

SCHEMBL3009469

Oc1ccc(N2CCN(c3nc(Cl)c4c(n3)CCS4)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ KMT2A Q03164 5/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ GAA P10253 3/20 0.36
▸ LMNA P02545 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ DRD4 P21917 3/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ ESR1 P03372 2/20 0.35
▸ ESR2 Q92731 2/20 0.35
▸ ME2 P23368 1/20 0.34
▸ ME1 P48163 1/20 0.34
▸ ME3 Q16798 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA2 P00918 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
SCHEMBL588859 0.90 ALDH1A1 (0.44) MAPTALDH1A1KDM4EKMT2AGAA
SCHEMBL2914424 0.87 MAPT (0.41) MAPTALDH1A1KDM4EPKMKMT2A
SCHEMBL29092505 0.86 ALDH1A1 (0.41) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL4607882 0.85 MAPT (0.39) MAPTALDH1A1KDM4EPKMKMT2A
SCHEMBL588576 0.82 KMT2A (0.43) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL2920930 0.79 MAPT (0.37) MAPTALDH1A1KDM4EPKMKMT2A
SCHEMBL2922400 0.79 MAPT (0.35) MAPTALDH1A1KDM4EPKMKMT2A
SCHEMBL2920928 0.77 ESR1 (0.36) MAPTALDH1A1KDM4EPKMKMT2A
SCHEMBL3027030 0.77 MAPT (0.39) MAPTALDH1A1KDM4EPKMKMT2A
SCHEMBL2922890 0.77 ALDH1A1 (0.48) MAPTALDH1A1KMT2AGAALMNA

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-20100190830-A1 (3-Amino-1,2,3,4-Tetrahydro-9H-Carbazol-9-yl)-Acetic Acid Derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2010-07-29 — — US claimed
US-8354531-B2 Compounds for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-15 — — US disclosed
US-20100197656-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-05 — — 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 (2 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-20100190830-A1 (3-Amino-1,2,3,4-Tetrahydro-9H-Carbazol-9-yl)-Acetic Acid Derivatives PTGDR, PTGER1, PTGIR MAPT 4534/4885ALDH1A1 389/4885KDM4E 3845/4885
US-20100197656-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISEASES TPMT, MALT1, IL1B MAPT 1505/4885ALDH1A1 100/4885KDM4E 4702/4885

“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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