SCHEMBL29620246

SCHEMBL29620246

COc1cc(C(=O)O)c([N+](=O)[O-])cc1OCCCCCOc1cc([N+](=O)[O-])c(C(=O)O)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ NPC1 O15118 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ LMNA P02545 3/20 0.49
▸ PKM P14618 2/20 0.49
▸ CASP3 P42574 1/20 0.47
▸ SENP8 Q96LD8 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ SENP6 Q9GZR1 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ MAPT P10636 3/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45

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
SCHEMBL2468068 1.00 HTT (0.52) HTTPOLBNPC1CYP3A4LMNA
SCHEMBL2150376 0.96 HTT (0.53) HTTPOLBNPC1CYP3A4LMNA
SCHEMBL20631194 0.95 HTT (0.51) HTTPOLBNPC1CYP3A4LMNA
SCHEMBL16067368 0.95 HTT (0.51) HTTPOLBNPC1CYP3A4LMNA
SCHEMBL1742989 0.94 POLB (0.47) HTTPOLBNPC1CYP3A4LMNA
SCHEMBL12221992 0.94 HTT (0.47) HTTPOLBNPC1CYP3A4LMNA
SCHEMBL2618863 0.92 HTT (0.53) HTTPOLBNPC1CYP3A4LMNA
SCHEMBL13785253 0.92 HTT (0.53) HTTPOLBNPC1CYP3A4LMNA
SCHEMBL3325751 0.92 LMNA (0.50) HTTPOLBNPC1CYP3A4LMNA
SCHEMBL4374707 0.92 LMNA (0.50) HTTPOLBNPC1CYP3A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220177601-A1 ANTI-HER2 ANTIBODY-PYRROLOBENZODIAZEPINE DERIVATIVE CONJUGATE DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-06-09 — — US disclosed
US-20220168440-A1 ANTIBODY-PYRROLOBENZODIAZEPINE DEPRIVATIVE CONJUGATE DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-06-02 — — US disclosed
US-20220168438-A1 COMBINATION OF ANTIBODY-PYRROLOBENZODIAZEPINE DERIVATIVE CONJUGATE AND PARP INHIBITOR DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-06-02 — — US disclosed
CN-108093640-B Site-specific antibody-drug conjugates ADC治疗股份有限公司 2022-05-17 — — CN 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 (3 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-20220168440-A1 ANTIBODY-PYRROLOBENZODIAZEPINE DEPRIVATIVE CONJUGATE CD79B, BTD, PDCD1 HTT 2934/4885POLB 3101/4885NPC1 1852/4885
US-20220168438-A1 COMBINATION OF ANTIBODY-PYRROLOBENZODIAZEPINE DERIVATIVE CONJUGATE AND PARP INHIBITOR PARP2, PARP3, PARP1 HTT 3479/4885POLB 87/4885NPC1 2494/4885
US-20220177601-A1 ANTI-HER2 ANTIBODY-PYRROLOBENZODIAZEPINE DERIVATIVE CONJUGATE ERBB2, BRD2, PA2G4 HTT 2143/4885POLB 2382/4885NPC1 3250/4885

“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.

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