SCHEMBL2911212

SCHEMBL2911212

O=C(OCN1C(=O)CCC(N2C(=O)c3ccccc3C2=O)C1=O)c1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 4/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CHRM2 P08172 1/20 0.38
OPRM1 P35372 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
IKZF3 Q9UKT9 1/20 0.38
CYP1A2 P05177 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
HSD17B10 Q99714 1/20 0.37
ELANE P08246 1/20 0.36
POLB P06746 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
SCHEMBL4939030 0.90 SMN1; SMN2 (0.51) SMN1; SMN2TSHRALDH1A1L3MBTL1CHRM2
SCHEMBL3593195 0.90 L3MBTL1 (0.45) SMN1; SMN2TSHRALDH1A1L3MBTL1CYP1A2
SCHEMBL2918285 0.84 LMNA (0.39) SMN1; SMN2ALDH1A1L3MBTL1DDB1CRBN
Hydrochloric Acid SCHEMBL3590240 0.83 LMNA (0.38) SMN1; SMN2ALDH1A1L3MBTL1DDB1CRBN
SCHEMBL13167682 0.82 PREP (0.39) SMN1; SMN2ALDH1A1LMNARAB9AMEN1
SCHEMBL13297907 0.82 DDB1 (0.43) TSHRALDH1A1L3MBTL1CHRM2OPRM1
SCHEMBL3577452 0.82 CHRNA7 (0.37) TSHRALDH1A1LMNARAB9AMEN1
SCHEMBL29262383 0.81 DDB1 (0.50) SMN1; SMN2TSHRDDB1CRBNIKZF3
SCHEMBL3597895 0.81 GRM1 (0.36) TSHRALDH1A1L3MBTL1CHRM2OPRM1
SCHEMBL3588869 0.80 MEN1 (0.36) TSHRALDH1A1CHRM2OPRM1DDB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240651-A1 WATER-SOLUBLE THALIDOMIDE DERIVATIVES ZHANG HESHENG 2010-09-23 US claimed
US-20100240651-A1 WATER-SOLUBLE THALIDOMIDE DERIVATIVES ZHANG HESHENG 2010-09-23 US disclosed
US-20100240651-A1 WATER-SOLUBLE THALIDOMIDE DERIVATIVES ZHANG HESHENG 2010-09-23 US disclosed
US-20100240651-A1 WATER-SOLUBLE THALIDOMIDE DERIVATIVES ZHANG HESHENG 2010-09-23 US disclosed
EP-1607394-B1 WATER-SOLUBLE THALIDOMINE DERIVATIVES TIAN JIN HEMAY BIO TECH CO LTD (CN) 2010-09-01 EP disclosed
US-7741342-B2 Water-soluble thalidomine derivatives Zhang, Hesheng (CN) 2010-06-22 US disclosed
US-20060094730-A1 having increased bioavailability when administered orally or by injection; used for treating erythema, behcet's syndrome, crohn's disease, rheumatoid arthritis, abnormal myeloidosis syndrome and tumors ZHANG, HESHENG (CN) 2006-05-04 US disclosed
EP-1607394-A1 WATER-SOLUBLE THALIDOMINE DERIVATIVES Tian Jin Hemay Bio-Tech Co., Ltd. (DE) 2005-12-21 EP 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 (2 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 SMN1; SMN2 2422/4885TSHR 253/4885ALDH1A1 2635/4885
US-20060094730-A1 having increased bioavailability when administered orally or by injection; used for treating erythema, behcet's syndrome, crohn's disease, rheumatoid arthritis, abnormal myeloidosis syndrome and tumors FCGRT, MALT1, IL1R1 SMN1; SMN2 2640/4885TSHR 304/4885ALDH1A1 2715/4885

“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.