SCHEMBL19643200

SCHEMBL19643200

O=C(O)CCCc1ccc(N(CCO)CCO)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.74
MAPT P10636 2/20 0.74
CYP2D6 P10635 2/20 0.74
GMNN O75496 1/20 0.74
ALDH1A1 P00352 1/20 0.74
LMNA P02545 1/20 0.74
GABRA1 P14867 1/20 0.74
TSHR P16473 1/20 0.74
NFKB1 P19838 1/20 0.74
THPO P40225 1/20 0.74
GABRA2 P47869 1/20 0.74
GABRB2 P47870 1/20 0.74
PMP22 Q01453 1/20 0.74
HIF1A Q16665 1/20 0.74
SLCO1B3 Q9NPD5 1/20 0.74
HDAC6 Q9UBN7 2/20 0.55
HDAC3 O15379 2/20 0.55
HDAC2 Q92769 2/20 0.55
HDAC8 Q9BY41 2/20 0.55
MAPK1 P28482 1/20 0.55

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
SCHEMBL19658529 0.93 SMN1; SMN2 (0.89) SMN1; SMN2MAPTCYP2D6GMNNALDH1A1
Chlorambucil SCHEMBL5318105 0.85 SMN1; SMN2 (1.00) SMN1; SMN2MAPTCYP2D6GMNNALDH1A1
Chlorambucil SCHEMBL4308 0.85 SMN1; SMN2 (1.00) SMN1; SMN2MAPTCYP2D6GMNNALDH1A1
Chlorambucil SCHEMBL23753952 0.84 SMN1; SMN2 (0.97) SMN1; SMN2MAPTCYP2D6GMNNALDH1A1
Chlorambucil SCHEMBL28426894 0.84 SMN1; SMN2 (0.97) SMN1; SMN2MAPTCYP2D6GMNNALDH1A1
Chlorambucil SCHEMBL28081945 0.84 SMN1; SMN2 (0.97) SMN1; SMN2MAPTCYP2D6GMNNALDH1A1
Chlorambucil SCHEMBL4176516 0.84 SMN1; SMN2 (0.97) SMN1; SMN2MAPTCYP2D6GMNNALDH1A1
Chlorambucil SCHEMBL5846926 0.84 SMN1; SMN2 (0.97) SMN1; SMN2MAPTCYP2D6GMNNALDH1A1
Chlorambucil SCHEMBL11252839 0.84 SMN1; SMN2 (0.97) SMN1; SMN2MAPTCYP2D6GMNNALDH1A1
Chlorambucil SCHEMBL28447772 0.84 SMN1; SMN2 (0.97) SMN1; SMN2MAPTCYP2D6GMNNALDH1A1

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
CN-109311802-B Chlorambucil formulations 珠海贝海生物技术有限公司 2022-02-08 CN disclosed
US-20190142748-A1 FORMULATIONS OF CHLORAMBUCIL ZHUHAI BEIHAI BIOTECH CO., LTD. (CN) 2019-05-16 US disclosed
US-20190142748-A1 FORMULATIONS OF CHLORAMBUCIL ZHUHAI BEIHAI BIOTECH CO., LTD. (CN) 2019-05-16 US disclosed
WO-2017205588-A1 FORMULATIONS OF CHLORAMBUCIL ZHUHAI BEIHAI BIOTECH CO., LTD. (CN) 2017-11-30 WO disclosed
WO-2017205588-A1 FORMULATIONS OF CHLORAMBUCIL ZHUHAI BEIHAI BIOTECH CO., LTD. (CN) 2017-11-30 WO 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-20190142748-A1 FORMULATIONS OF CHLORAMBUCIL ALB, SLCO4C1, BCL9L SMN1; SMN2 2021/4885MAPT 993/4885CYP2D6 330/4885

“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.