SCHEMBL6881336

SCHEMBL6881336

O=C(NCC1CCCO1)c1cc(-c2ccc(Cl)cc2)cs1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 8/20 0.58
▸ ALDH1A1 P00352 6/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ PKM P14618 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ SMN1; SMN2 Q16637 8/20 0.54
▸ RAB9A P51151 6/20 0.54
▸ NPC1 O15118 4/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ TP53 P04637 2/20 0.54
▸ ALOX12 P18054 1/20 0.54
▸ KMT2A Q03164 3/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ POLB P06746 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ ATM Q13315 1/20 0.51

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
SCHEMBL6882924 0.86 HPGD (0.65) HPGDALDH1A1KDM4EPKMHSD17B10
SCHEMBL6462005 0.83 MMP12 (0.66) HPGDALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL26856936 0.77 HPGD (0.47) HPGDALDH1A1KDM4EPKMMAPK1
SCHEMBL26856993 0.74 HPGD (0.44) HPGDALDH1A1KDM4EPKMMAPK1
SCHEMBL6457123 0.71 MMP12 (0.82) HPGDALDH1A1KDM4EMAPK1HSD17B10
SCHEMBL276856 0.71 KMT2A (0.68) HPGDALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL6463167 0.70 ALAD (0.55) HPGDALDH1A1KDM4EMAPK1HSD17B10
SCHEMBL14395933 0.70 KMT2A (0.67) HPGDALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL279976 0.70 KMT2A (0.67) HPGDALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL6457597 0.70 HDAC4 (0.56) MAPK1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040072871-A1 Novel thiophene derivatives, their process of preparation and the pharmaceutical compositions which comprise them WARNER-LAMBERT COMPANY LLC 2004-04-15 — — US claimed
US-20040072871-A1 Novel thiophene derivatives, their process of preparation and the pharmaceutical compositions which comprise them WARNER-LAMBERT COMPANY LLC 2004-04-15 — — 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-20040072871-A1 Novel thiophene derivatives, their process of preparation and the pharmaceutical compositions which comprise them MMP11, MMP13, CBR1 HPGD 612/4885ALDH1A1 563/4885KDM4E 2797/4885

“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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