SCHEMBL9174298

SCHEMBL9174298

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

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.79
▸ PKM P14618 2/20 0.79
▸ MEN1 O00255 1/20 0.79
▸ ABL1 P00519 1/20 0.79
▸ LMNA P02545 1/20 0.79
▸ IDE P14735 1/20 0.79
▸ MAPK1 P28482 1/20 0.79
▸ KMT2A Q03164 1/20 0.79
▸ RIN1 Q13671 1/20 0.79
▸ L3MBTL1 Q9Y468 1/20 0.79
▸ FOLH1 Q04609 2/20 0.62
▸ CA12 O43570 3/20 0.62
▸ CA1 P00915 3/20 0.62
▸ CA2 P00918 3/20 0.62
▸ CA9 Q16790 3/20 0.62
▸ CAPN1 P07384 2/20 0.57
▸ PLCD1 P51178 1/20 0.57
▸ HLCS P50747 1/20 0.56
▸ F2 P00734 1/20 0.56
▸ PRSS1 P07477 1/20 0.56

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
SCHEMBL18268949 1.00 TDP1 (0.79) TDP1PKMMEN1ABL1LMNA
SCHEMBL12606268 0.98 TDP1 (0.79) TDP1PKMMEN1ABL1LMNA
SCHEMBL16913029 0.97 TDP1 (0.77) TDP1PKMMEN1ABL1LMNA
SCHEMBL565248 0.97 TDP1 (0.77) TDP1PKMMEN1ABL1LMNA
SCHEMBL22975316 0.97 TDP1 (0.77) TDP1PKMMEN1ABL1LMNA
SCHEMBL25417015 0.97 TDP1 (0.77) TDP1PKMMEN1ABL1LMNA
SCHEMBL10171661 0.97 TDP1 (0.77) TDP1PKMMEN1ABL1LMNA
SCHEMBL565479 0.97 TDP1 (0.77) TDP1PKMMEN1ABL1LMNA
SCHEMBL12551857 0.97 TDP1 (0.77) TDP1PKMMEN1ABL1LMNA
SCHEMBL383254 0.97 TDP1 (0.77) TDP1PKMMEN1ABL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0379949-B1 Method for the determination of HIV antibodies BOEHRINGER MANNHEIM GMBH (DE) 1995-03-29 — — EP claimed
US-5001049-A Method for determination of HIV specific antibodies BOEHRINGER MANNHEIM GMBH (DE) 1991-03-19 — — US claimed
US-20240092737-A1 SUBSTITUTED SALICYLAMIDE COMPOUNDS AND USE THEREOF HELIOS HUAMING BIOPHARMA CO., LTD. (CN) 2024-03-21 — — US disclosed
US-20230381146-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND USE THEREOF HELIOS HUAMING BIOPHARMA CO., LTD. (CN) 2023-11-30 — — US disclosed
US-20230381146-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND USE THEREOF HELIOS HUAMING BIOPHARMA CO., LTD. (CN) 2023-11-30 — — US disclosed
US-20230381146-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND USE THEREOF HELIOS HUAMING BIOPHARMA CO., LTD. (CN) 2023-11-30 — — US disclosed
EP-4277884-A1 SUBSTITUTED SALICYLAMIDE COMPOUNDS AND USE THEREOF Helios Huaming Biopharma Co., Ltd. (CN) 2023-11-22 — — EP disclosed
EP-4225743-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND USE THEREOF Helios Huaming Biopharma Co., Ltd. (CN) 2023-08-16 — — EP disclosed
US-11453640-B2 Small molecules for disrupting the super elongation complex and inhibiting transcription elongation for cancer therapy NORTHWESTERN UNIVERSITY (US) 2022-09-27 — — US disclosed
WO-2022078294-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND USE THEREOF HELIOS HUAMING BIOPHARMA CO., LTD. (CN) 2022-04-21 — — WO disclosed
US-5001049-A Method for determination of HIV specific antibodies BOEHRINGER MANNHEIM GMBH (DE) 1991-03-19 — — 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 (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-11453640-B2 Small molecules for disrupting the super elongation complex and inhibiting transcription elongation for cancer therapy SUB1, ELL, MED16 TDP1 1047/4885PKM 3352/4885MEN1 3866/4885
US-20230381146-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND USE THEREOF SSB, BTK, PADI6 TDP1 31/4885PKM 607/4885MEN1 2371/4885
US-20240092737-A1 SUBSTITUTED SALICYLAMIDE COMPOUNDS AND USE THEREOF SYMPK, SLC10A2, SLC10A1 TDP1 1239/4885PKM 2323/4885MEN1 1876/4885

“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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