SCHEMBL6084953

SCHEMBL6084953

N#Cc1ccc2[nH]cc(/C=C3/CCCC3=O)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ HPGD P15428 1/20 0.47
▸ IDO1 P14902 1/20 0.44
▸ HTR6 P50406 1/20 0.43
▸ GABRP O00591 1/20 0.40
▸ GABRD O14764 1/20 0.40
▸ GABRA1 P14867 1/20 0.40
▸ GABRB1 P18505 1/20 0.40
▸ GABRG2 P18507 1/20 0.40
▸ GABRB3 P28472 1/20 0.40
▸ GABRA5 P31644 1/20 0.40
▸ GABRA3 P34903 1/20 0.40
▸ GABRA2 P47869 1/20 0.40
▸ GABRB2 P47870 1/20 0.40

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
SCHEMBL6084960 1.00 KDM4E (0.50) KDM4EALDH1A1LMNAMAPTMEN1
SCHEMBL2535253 0.75 GABRP (0.60) KDM4EALDH1A1MAPTIDO1HTR6
SCHEMBL30665978 0.75 GABRP (0.60) KDM4EALDH1A1MAPTIDO1HTR6
SCHEMBL28138476 0.75 ACHE (0.62) KDM4EALDH1A1LMNAMAPTMEN1
SCHEMBL28488457 0.75 KDM4E (0.47) KDM4EALDH1A1LMNAMAPTMEN1
SCHEMBL5604224 0.74 ALDH1A1 (0.76) KDM4EALDH1A1LMNAMAPTMEN1
SCHEMBL5604228 0.74 ALDH1A1 (0.76) KDM4EALDH1A1LMNAMAPTMEN1
SCHEMBL5605289 0.74 ALDH1A1 (0.76) KDM4EALDH1A1LMNAMAPTMEN1
SCHEMBL30760669 0.73 GABRP (0.49) ALDH1A1IDO1HTR6GABRPGABRD
SCHEMBL8881893 0.70 AKR1C3 (0.62) ALDH1A1MAPTSMN1; SMN2HPGD

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-7105516-B2 Compounds for the treatment of premature ejaculation BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-12 — — US disclosed
WO-2004026237-A2 COMPOUNDS FOR THE TREATMENT OF PREMATURE EJACULATION BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-01 — — WO disclosed
US-20040063768-A1 Compounds for the treatment of premature ejaculation BRISTOL-MYERS SQUIBB COMPANY 2004-04-01 — — 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-20040063768-A1 Compounds for the treatment of premature ejaculation HTR5A, SLC18A2, CYP17A1 KDM4E 2369/4885ALDH1A1 34/4885LMNA 3082/4885

“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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