SCHEMBL2949904

SCHEMBL2949904

O=S(=O)(c1cnc(Cl)c2ccccc12)N1CCC(N2CCC2)C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.43
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
ALOX5AP P20292 1/20 0.42
FEN1 P39748 1/20 0.42
CCR1 P32246 7/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.40
NPC1 O15118 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CHRM1 P11229 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR6 P50406 1/20 0.37

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
SCHEMBL2949903 1.00 HSD11B1 (0.43) HSD11B1KDM4EGAAALOX5APFEN1
SCHEMBL2955870 0.86 HSD11B1 (0.43) HSD11B1KDM4EGAAALOX5APFEN1
SCHEMBL2955872 0.86 HSD11B1 (0.43) HSD11B1KDM4EGAAALOX5APFEN1
SCHEMBL2954471 0.76 CHRM1 (0.39) ALOX5APFEN1ALDH1A1LMNACHRM1
SCHEMBL2954469 0.76 CHRM1 (0.39) ALOX5APFEN1ALDH1A1LMNACHRM1
SCHEMBL2955803 0.71 ALDH1A1 (0.61) GAAALDH1A1LMNAMEN1KMT2A
SCHEMBL2955805 0.71 ALDH1A1 (0.61) GAAALDH1A1LMNAMEN1KMT2A
SCHEMBL2952894 0.70 CCR1 (0.65) CCR1ALDH1A1LMNANPC1TDP1
SCHEMBL2962523 0.70 POLB (0.47) CCR1ALDH1A1LMNAPOLBMEN1
SCHEMBL6110961 0.70 KMT2A (0.53) HSD11B1KDM4ECCR1ALDH1A1LMNA

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-20060223829-A1 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. 2006-10-05 US claimed
US-7759339-B2 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-07-20 US disclosed
EP-1866298-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS Takeda San Diego, Inc. (US) 2007-12-19 EP disclosed
WO-2006105127-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-10-05 WO disclosed
US-20060223829-A1 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. 2006-10-05 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 (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-20060223829-A1 Hydroxysteroid dehydrogenase inhibitors HSD17B1, HSD17B3, HSD17B2 HSD11B1 7/4885KDM4E 3234/4885GAA 455/4885

“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.