SCHEMBL19211630

SCHEMBL19211630

[CH2]c1ccc(NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN2C(=O)C=CC2=O)C(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 1/20 0.37
▸ CA12 O43570 2/20 0.35
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA4 P22748 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ CA14 Q9ULX7 2/20 0.35
▸ HTT P42858 1/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC7 Q8WUI4 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC10 Q969S8 1/20 0.32
▸ HDAC11 Q96DB2 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ HDAC9 Q9UKV0 1/20 0.32
▸ HDAC5 Q9UQL6 1/20 0.32
▸ FNTA P49354 1/20 0.32

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
SCHEMBL20527288 0.94 NR3C1 (0.36) NR3C1CA12CA1CA2CA4
SCHEMBL19026268 0.93 CA12 (0.37) NR3C1CA12CA1CA2CA4
SCHEMBL18019443 0.92 NR3C1 (0.37) NR3C1CA12CA1CA2CA4
SCHEMBL23910524 0.92 NR3C1 (0.38) NR3C1HTTFNTAFNTBSMN1; SMN2
SCHEMBL16945805 0.92 NR3C1 (0.38) NR3C1CA12CA1CA2CA4
SCHEMBL23846023 0.91 NR3C1 (0.38) NR3C1CA12CA1CA2CA4
SCHEMBL23961616 0.91 NR3C1 (0.38) NR3C1CA12CA1CA2CA4
SCHEMBL24898123 0.91 NR3C1 (0.38) NR3C1CA12CA1CA2CA4
SCHEMBL22482987 0.90 NR3C1 (0.36) NR3C1CA12CA1CA2CA4
SCHEMBL27432928 0.90 NR3C1 (0.36) NR3C1CA12CA1CA2CA4

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230141981-A1 NOVEL COMPOUNDS AND COMPOSITION FOR TARGETED THERAPY OF KIDNEY-ASSOCIATED CANCERS Shanghai MICURX Pharmaceuticals Co., Ltd. (CN) 2023-05-11 — — US claimed
US-20180339985-A1 PDD COMPOUNDS FEMTOGENIX LIMITED (GB) 2018-11-29 — — US claimed
US-20180291021-A1 PDD COMPOUNDS PHEON THERAPEUTICS LTD (GB) 2018-10-11 — — US claimed
US-11912700-B2 Anti-proliferative agents comprising substituted benzo[e]pyrido[1,2-a][1,4]diazepines PHEON THERAPEUTICS LTD (GB) 2024-02-27 — — US disclosed
WO-2024013724-A1 ANTIBODY-DRUG CONJUGATES PHEON THERAPEUTICS LTD (GB) 2024-01-18 — — WO disclosed
WO-2024013723-A1 ANTIBODY DRUG CONJUGATES THAT BIND CDCP1 AND USES THEREOF PHEON THERAPEUTICS LTD (GB) 2024-01-18 — — WO disclosed
EP-3938372-B1 AZETIDOBENZODIAZEPINE DIMERS AND CONJUGATES COMPRISING THEM FOR USE IN THE TREATMENT OF CANCER MEDIMMUNE LTD (GB) 2023-10-25 — — EP disclosed
US-20230143309-A1 PYRROLOBENZODIAZEPINE ANTIBODY CONJUGATES MEDIMMUNE LIMITED (GB) 2023-05-11 — — US disclosed
US-20230141981-A1 NOVEL COMPOUNDS AND COMPOSITION FOR TARGETED THERAPY OF KIDNEY-ASSOCIATED CANCERS Shanghai MICURX Pharmaceuticals Co., Ltd. (CN) 2023-05-11 — — US disclosed
US-11517626-B2 Pyrrolobenzodiazepine antibody conjugates MEDIMMUNE LIMITED (GB) 2022-12-06 — — US disclosed
EP-3612537-B1 PYRROLOBENZODIAZEPINE CONJUGATES MEDIMMUNE LTD (GB) 2022-07-13 — — EP disclosed
EP-3191490-B1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF MEDIMMUNE LTD (GB) 2019-08-07 — — EP disclosed
US-10350218-B2 Isoquinolidinobenzodiazepine (IQB)-1(chloromethyl)-2,3-dihydro-1H-benzo[e]indole (CBI) dimers CELLERANT THERAPEUTICS, INC. (US) 2019-07-16 — — US disclosed
US-10188746-B2 Pyrrolobenzodiazepines and conjugates thereof MEDIMMUNE LIMITED (GB) 2019-01-29 — — US disclosed
EP-3413923-A1 PYRROLOBENZODIAZEPINE CONJUGATES Medimmune Limited (GB) 2018-12-19 — — EP disclosed
US-20180177795-A1 ISOQUINOLIDINOBENZODIAZEPINE (IQB)-1(CHLOROMETHYL)-2,3-DIHYDRO-1H-BENZO[E]INDOLE (CBI) DIMERS CELLERANT THERAPEUTICS, INC. 2018-06-28 — — US disclosed
US-20170340752-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF MEDIMMUNE LIMITED (GB) 2017-11-30 — — US disclosed
US-20170239365-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF MEDIMMUNE LIMITED (GB) 2017-08-24 — — US disclosed
WO-2017137553-A1 PYRROLOBENZODIAZEPINE CONJUGATES MEDIMMUME LIMITED (GB) 2017-08-17 — — WO disclosed
WO-2017137556-A1 PYRROLOBENZODIAZEPINE ANTI-HER2 ANTIBODY CONJUGATES ADC THERAPEUTICS SA (CH) 2017-08-17 — — 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 (11 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-20180177795-A1 ISOQUINOLIDINOBENZODIAZEPINE (IQB)-1(CHLOROMETHYL)-2,3-DIHYDRO-1H-BENZO[E]INDOLE (CBI) DIMERS BCL6B, HTR2B, IDO1 NR3C1 3876/4885CA12 772/4885CA1 1239/4885
US-20180291021-A1 PDD COMPOUNDS DRD1, DRD3, DRD2 NR3C1 95/4885CA12 2777/4885CA1 2488/4885
US-20170239365-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF CD79B, BOD1L1, GABRA1 NR3C1 1157/4885CA12 2228/4885CA1 718/4885
US-20230143309-A1 PYRROLOBENZODIAZEPINE ANTIBODY CONJUGATES CD79B, H1-10, DRD1 NR3C1 2091/4885CA12 312/4885CA1 620/4885
US-10188746-B2 Pyrrolobenzodiazepines and conjugates thereof CD22, GABRA1, CCNB1 NR3C1 1838/4885CA12 362/4885CA1 408/4885
US-10350218-B2 Isoquinolidinobenzodiazepine (IQB)-1(chloromethyl)-2,3-dihydro-1H-benzo[e]indole (CBI) dimers BCL6B, HTR2B, IDO1 NR3C1 3876/4885CA12 772/4885CA1 1239/4885
US-20230141981-A1 NOVEL COMPOUNDS AND COMPOSITION FOR TARGETED THERAPY OF KIDNEY-ASSOCIATED CANCERS GLS, ATP6V1B1, KRAS NR3C1 2940/4885CA12 150/4885CA1 1063/4885
US-11517626-B2 Pyrrolobenzodiazepine antibody conjugates CD79B, DRD1, H1-10 NR3C1 1780/4885CA12 471/4885CA1 551/4885
US-11912700-B2 Anti-proliferative agents comprising substituted benzo[e]pyrido[1,2-a][1,4]diazepines MKI67, CCND2, CCND1 NR3C1 857/4885CA12 4681/4885CA1 4493/4885
US-20180339985-A1 PDD COMPOUNDS DRD1, DRD3, DRD2 NR3C1 251/4885CA12 2551/4885CA1 1841/4885
US-20170340752-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF CD22, GABRA1, CCNB1 NR3C1 1838/4885CA12 362/4885CA1 408/4885

“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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