SCHEMBL3583758

SCHEMBL3583758

O=C(CBr)NCC(=O)OCN1C(=O)CCC(N2C(=O)c3ccccc3C2=O)C1=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 4/20 0.42
USP2 O75604 1/20 0.41
TDP1 Q9NUW8 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 1/20 0.38
AGTR1 P30556 1/20 0.36
DDB1 Q16531 3/20 0.36
CRBN Q96SW2 3/20 0.36
CHRM2 P08172 1/20 0.36
OPRM1 P35372 1/20 0.36
IKZF3 Q9UKT9 1/20 0.36
TSHR P16473 1/20 0.36
MAP1LC3B Q9GZQ8 1/20 0.36

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
Hydrochloric Acid SCHEMBL7741745 0.89 ALDH1A1 (0.41) CYP3A4POLBALDH1A1USP2TDP1
SCHEMBL2918755 0.88 ALDH1A1 (0.41) CYP3A4ALDH1A1TDP1KMT2ACYP1A2
SCHEMBL3593651 0.88 ALDH1A1 (0.41) CYP3A4POLBALDH1A1USP2TDP1
SCHEMBL3588320 0.87 ALDH1A1 (0.42) CYP3A4POLBALDH1A1USP2TDP1
SCHEMBL3599942 0.87 USP2 (0.41) CYP3A4POLBALDH1A1USP2TDP1
SCHEMBL7736189 0.85 DDB1 (0.45) CYP3A4POLBALDH1A1USP2TDP1
SCHEMBL3594645 0.83 L3MBTL1 (0.35) ALDH1A1TDP1KMT2ACYP1A2DDB1
SCHEMBL3594808 0.82 CYP3A4 (0.36) CYP3A4ALDH1A1TDP1KMT2ACYP1A2
SCHEMBL3594804 0.82 CYP3A4 (0.36) CYP3A4ALDH1A1TDP1KMT2ACYP1A2
SCHEMBL3592001 0.82 ALDH1A1 (0.41) CYP3A4ALDH1A1TDP1KMT2ACYP1A2

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-20100240651-A1 WATER-SOLUBLE THALIDOMIDE DERIVATIVES ZHANG HESHENG 2010-09-23 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-20100240651-A1 WATER-SOLUBLE THALIDOMIDE DERIVATIVES CCNH, CBR1, CBR3 CYP3A4 958/4885POLB 4014/4885ALDH1A1 2635/4885

“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.