SCHEMBL13401541

SCHEMBL13401541

COC(=O)c1c(C)[nH]c2c(OC(=O)N3CCN(C)CC3)cc3c(c12)[C@H](CBr)CN3C(=O)c1cc2cc([N+](=O)[O-])ccc2o1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.34
KMT2A Q03164 2/20 0.33
PKM P14618 1/20 0.33
ALDH1A1 P00352 8/20 0.32
ABCB1 P08183 2/20 0.32
ABCC1 P33527 2/20 0.32
KDM4E B2RXH2 2/20 0.31
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
LMNA P02545 3/20 0.30
NPC1 O15118 2/20 0.30
MAPT P10636 2/20 0.30
RAB9A P51151 2/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL13401572 0.94 HRH4 (0.34) HRH4KMT2APKMALDH1A1ABCB1
SCHEMBL13410096 0.91 HRH4 (0.34) HRH4TSHRSMN1; SMN2
SCHEMBL14012308 0.90 TSHR (0.34) HRH4TSHRSMN1; SMN2
SCHEMBL13401608 0.90 TSHR (0.34) HRH4TSHRSMN1; SMN2
SCHEMBL13410095 0.86 ALDH1A1 (0.34) KMT2APKMALDH1A1ABCC1KDM4E
SCHEMBL14546597 0.86 HRH4 (0.39) HRH4KMT2APKMALDH1A1ABCB1
SCHEMBL14546588 0.85 HRH4 (0.36) HRH4KMT2APKMALDH1A1ABCB1
SCHEMBL13401443 0.85 HRH4 (0.36) HRH4KMT2ATSHRSMN1; SMN2NPC1
SCHEMBL13401571 0.84 HRH4 (0.36) HRH4TSHRSMN1; SMN2RAB9A
SCHEMBL13933657 0.83 ABCC1 (0.34) KMT2APKMALDH1A1ABCB1ABCC1

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-8399403-B2 drug-ligand conjugates that are potent cytotoxins; stabilized therapeutic agents and markers; exhibit high specificity of action, reduced toxicity, and improved stability in blood ; antitumors MEDAREX, INC. (US) 2013-03-19 US disclosed
US-8399403-B2 drug-ligand conjugates that are potent cytotoxins; stabilized therapeutic agents and markers; exhibit high specificity of action, reduced toxicity, and improved stability in blood ; antitumors MEDAREX, INC. (US) 2013-03-19 US disclosed
US-20100092496-A1 CHEMICAL LINKERS AND CONJUGATES THEREOF MEDAREX, INC. (US) 2010-04-15 US disclosed
US-20100092496-A1 CHEMICAL LINKERS AND CONJUGATES THEREOF MEDAREX, INC. (US) 2010-04-15 US disclosed
US-7691962-B2 Chemical linkers and conjugates thereof MEDAREX, INC. (US) 2010-04-06 US disclosed
US-7691962-B2 Chemical linkers and conjugates thereof MEDAREX, INC. (US) 2010-04-06 US disclosed
US-20080279868-A1 Antibody-Drug Conjugates and Methods of Use MEDAREX, INC. (US) 2008-11-13 US disclosed
US-20080279868-A1 Antibody-Drug Conjugates and Methods of Use MEDAREX, INC. (US) 2008-11-13 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 (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-20080279868-A1 Antibody-Drug Conjugates and Methods of Use CD47, ANTXR2, CD2BP2 HRH4 2526/4885KMT2A 2408/4885PKM 4746/4885
US-20100092496-A1 CHEMICAL LINKERS AND CONJUGATES THEREOF CLSPN, CD74, ANTXR2 HRH4 775/4885KMT2A 3304/4885PKM 3778/4885

“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.