SCHEMBL7220660

SCHEMBL7220660

Nc1ccccc1N(C=S)c1cccc2c1CCCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.38
BAD Q92934 1/20 0.38
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
TSHR P16473 1/20 0.34
CCNE2 O96020 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
DHFR P00374 1/20 0.33
NOS3 P29474 2/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL6906512 0.85 RXRA (0.38) BCL2L1BADRXRARXRBRXRG
SCHEMBL751800 0.71 BCL2L1 (0.56) BCL2L1BADTSHRCCNE2CCNE1
SCHEMBL30513686 0.71 BCL2L1 (0.56) BCL2L1BADTSHRCCNE2CCNE1
SCHEMBL6903539 0.70 ALDH1A1 (0.48) TSHRDHFRALDH1A1HPGDCYP3A4
SCHEMBL10789537 0.69 BCL2L1 (0.54) BCL2L1BADTSHRCCNE2CCNE1
SCHEMBL7952487 0.69 BCL2L1 (0.54) BCL2L1BADTSHRCCNE2CCNE1
SCHEMBL3801550 0.69 BCL2L1 (0.54) BCL2L1BADTSHRCCNE2CCNE1
Hydrochloric Acid SCHEMBL13857769 0.69 BCL2L1 (0.54) BCL2L1BADTSHRCCNE2CCNE1
SCHEMBL353635 0.67 CD44 (0.53) BCL2L1BADTSHRCCNE2CCNE1
SCHEMBL29661353 0.67 CD44 (0.53) BCL2L1BADTSHRCCNE2CCNE1

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-6548548-B2 ABCA-1 elevating compounds CV THERAPEUTICS, INC. 2003-04-15 US disclosed
US-20020111364-A1 ABCA-1 elevating compounds CV THERAPEUTICS, INC. 2002-08-15 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-20020111364-A1 ABCA-1 elevating compounds ABCD3, ABCE1, ABCB4 BCL2L1 1356/4885BAD 899/4885RXRA 263/4885

“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.