SCHEMBL19901346

SCHEMBL19901346

CC(C)NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.68
▸ MEN1 O00255 1/20 0.67
▸ ABL1 P00519 1/20 0.67
▸ LMNA P02545 1/20 0.67
▸ PKM P14618 1/20 0.67
▸ IDE P14735 1/20 0.67
▸ MAPK1 P28482 1/20 0.67
▸ KMT2A Q03164 1/20 0.67
▸ RIN1 Q13671 1/20 0.67
▸ L3MBTL1 Q9Y468 1/20 0.67
▸ HLCS P50747 5/20 0.60
▸ CA12 O43570 5/20 0.57
▸ CA1 P00915 5/20 0.57
▸ CA2 P00918 5/20 0.57
▸ CA9 Q16790 5/20 0.57
▸ CAPN1 P07384 2/20 0.54
▸ CNR1 P21554 2/20 0.52

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
SCHEMBL12724896 1.00 TDP1 (0.68) TDP1MEN1ABL1LMNAPKM
SCHEMBL21524656 1.00 TDP1 (0.68) TDP1MEN1ABL1LMNAPKM
SCHEMBL27414509 0.93 TDP1 (0.66) TDP1MEN1ABL1LMNAPKM
SCHEMBL21958835 0.92 TDP1 (0.70) TDP1MEN1ABL1LMNAPKM
SCHEMBL8146132 0.91 TDP1 (0.65) TDP1MEN1ABL1LMNAPKM
SCHEMBL31378129 0.90 TDP1 (0.66) TDP1MEN1ABL1LMNAPKM
SCHEMBL319055 0.88 TDP1 (0.67) TDP1MEN1ABL1LMNAPKM
SCHEMBL31378083 0.88 TDP1 (0.63) TDP1MEN1ABL1LMNAPKM
SCHEMBL14159597 0.87 TDP1 (0.71) TDP1MEN1ABL1LMNAPKM
SCHEMBL21841844 0.87 TDP1 (0.65) TDP1MEN1ABL1LMNAPKM

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-20230339922-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF DANA FARBER CANCER INST INC (US) 2023-10-26 — — US disclosed
US-11236082-B2 EZH2 inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-02-01 — — US disclosed
US-10633371-B2 EZH2 inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-04-28 — — US disclosed
US-20200039968-A9 EZH2 INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-02-06 — — US disclosed
US-20200039943-A1 COMPOUNDS, DEVICES, AND USES THEREOF SIGILON THERAPEUTICS, INC. 2020-02-06 — — US disclosed
US-20190135796-A1 EZH2 INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-05-09 — — US disclosed
US-20190000860-A1 USE OF COMPOSITIONS MODULATING CHROMATIN STRUCTURE FOR GRAFT VERSUS HOST DISEASE (GVHD) DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-01-03 — — US disclosed
US-9902985-B2 Chemoenzymatic methods for synthesizing moenomycin analogs PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-02-27 — — 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 (7 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-20190000860-A1 USE OF COMPOSITIONS MODULATING CHROMATIN STRUCTURE FOR GRAFT VERSUS HOST DISEASE (GVHD) BCL6, BCL6B, EZH2 TDP1 2409/4885MEN1 3905/4885ABL1 248/4885
US-20200039943-A1 COMPOUNDS, DEVICES, AND USES THEREOF SLC10A1, SLCO1B3, SLC5A1 TDP1 1798/4885MEN1 272/4885ABL1 2331/4885
US-20190135796-A1 EZH2 INHIBITORS AND USES THEREOF EZH2, EZH1, BMI1 TDP1 2354/4885MEN1 1551/4885ABL1 375/4885
US-20200039968-A9 EZH2 INHIBITORS AND USES THEREOF EZH2, EZH1, BMI1 TDP1 2354/4885MEN1 1551/4885ABL1 375/4885
US-20230339922-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF EGFR, ERBB2, ERBB3 TDP1 1647/4885MEN1 4588/4885ABL1 5/4885
US-10633371-B2 EZH2 inhibitors and uses thereof EZH2, EZH1, BMI1 TDP1 2354/4885MEN1 1551/4885ABL1 375/4885
US-11236082-B2 EZH2 inhibitors and uses thereof EZH2, EZH1, BMI1 TDP1 2226/4885MEN1 1860/4885ABL1 287/4885

“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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