SCHEMBL14629758

SCHEMBL14629758

O=c1c2c([nH]c3ccccc13)[C@@H](C1C=C3CCOC3=CC1)NC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ PDE5A O76074 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MAPKAPK2 P49137 1/20 0.34
▸ HPGD P15428 4/20 0.34
▸ LMNA P02545 2/20 0.34
▸ HSD17B10 Q99714 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ RECQL P46063 1/20 0.33

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
SCHEMBL14629722 0.76 PDE5A (0.40) PDE5A
SCHEMBL2509857 0.67 PDE5A (0.60) PDE5A
SCHEMBL2502972 0.67 PDE5A (0.60) PDE5A
Hydrochloric Acid SCHEMBL6407788 0.67 PDE5A (0.59) PDE5A
Hydrochloric Acid SCHEMBL5537994 0.67 PDE5A (0.59) PDE5A
SCHEMBL6407096 0.63 PDE5A (0.58) KDM4EPDE5AHSD17B10ALOX15
SCHEMBL6407129 0.63 PDE5A (0.58) KDM4EPDE5AHSD17B10ALOX15
SCHEMBL6412001 0.62 KDM4E (0.36) KDM4EALDH1A1PDE5ASMN1; SMN2MAPKAPK2
SCHEMBL1520228 0.59 MEN1 (0.64) KDM4EALDH1A1PDE5ASMN1; SMN2HPGD
SCHEMBL6407705 0.59 MEN1 (0.58) ALDH1A1PDE5ASMN1; SMN2MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070015798-A1 Efficient and stereoselective process for large scale synthesis of (3R)-3-(2,3-dihydrobenzofuran-5-yl)-1,2,3,4-tetrahydropyrrolo[3,4-b]quinolin-9-one derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2007-01-18 — — 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-20070015798-A1 Efficient and stereoselective process for large scale synthesis of (3R)-3-(2,3-dihydrobenzofuran-5-yl)-1,2,3,4-tetrahydropyrrolo[3,4-b]quinolin-9-one derivatives PDE5A, PDE3A, PDE3B KDM4E 328/4885ALDH1A1 1786/4885PDE5A 1/4885

“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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