SCHEMBL21450331

SCHEMBL21450331

Nc1cc2c(cc1C(=O)CBr)OCO2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 8/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
GAA P10253 2/20 0.43
NPC1 O15118 2/20 0.43
PKM P14618 2/20 0.43
RAB9A P51151 2/20 0.43
L3MBTL1 Q9Y468 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
POLB P06746 1/20 0.41
MCL1 Q07820 1/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
ALOX12 P18054 1/20 0.37
NFKB1 P19838 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
SCHEMBL30884756 0.83 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL29084683 0.83 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL8041232 0.83 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL25333842 0.79 KDM4E (0.42) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL8961789 0.79 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL30683566 0.79 KDM4E (0.42) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL7668928 0.78 MAPT (0.50) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL29590055 0.78 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL7018429 0.78 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL31191806 0.78 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240226313-A1 CEACAM5 ANTIBODY-DRUG CONJUGATES AND METHODS OF USE THEREOF SEAGEN INC. 2024-07-11 US disclosed
US-20240226313-A1 CEACAM5 ANTIBODY-DRUG CONJUGATES AND METHODS OF USE THEREOF SEAGEN INC. 2024-07-11 US disclosed
WO-2019195665-A1 CAMPTOTHECIN PEPTIDE CONJUGATES SEATTLE GENETICS, INC. (US) 2019-10-10 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-20240226313-A1 CEACAM5 ANTIBODY-DRUG CONJUGATES AND METHODS OF USE THEREOF EPCAM, TOP2A, SPAG5 ALDH1A1 388/4885KDM4E 2032/4885MAPT 3128/4885

“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.