SCHEMBL26109645

SCHEMBL26109645

CSc1ncc(C#CCCCC(=O)NC(CCCCOC(N)=O)C(=O)Nc2ccc(CO)cc2)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NMT2 O60551 1/20 0.35
▸ NMT1 P30419 1/20 0.35
▸ HDAC4 P56524 9/20 0.34
▸ MEF2D Q14814 8/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HDAC1 Q13547 3/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ KLKB1 P03952 2/20 0.32
▸ CALCRL Q16602 1/20 0.31
▸ HDAC2 Q92769 2/20 0.31
▸ HDAC3 O15379 1/20 0.31
▸ HDAC7 Q8WUI4 1/20 0.31
▸ HDAC10 Q969S8 1/20 0.31
▸ HDAC11 Q96DB2 1/20 0.31

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
SCHEMBL26109642 1.00 NMT2 (0.35) NMT2NMT1HDAC4MEF2DALDH1A1
SCHEMBL28872431 0.90 NMT2 (0.34) NMT2NMT1HDAC4MEF2DALDH1A1
SCHEMBL26111054 0.86 NMT2 (0.37) NMT2NMT1ALDH1A1CYP1A2CYP3A4
SCHEMBL26111048 0.86 NMT2 (0.37) NMT2NMT1ALDH1A1CYP1A2CYP3A4
SCHEMBL26528591 0.84 CA1 (0.42) NMT2NMT1HDAC4MAPTHDAC1
SCHEMBL24642424 0.77 CYP1A2 (0.49) HDAC4ALDH1A1CYP1A2CYP3A4MAPT
SCHEMBL25046493 0.76 HDAC3 (0.34) NMT2NMT1HDAC4ALDH1A1CYP1A2
SCHEMBL25363954 0.74 SIRT1 (0.34) NMT2NMT1
SCHEMBL22561435 0.73 — —
SCHEMBL25363958 0.72 SIRT1 (0.37) HDAC4MEF2DHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240108745-A1 BIOACTIVE SUBSTANCE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF MEDILINK THERAPEUTICS (SUZHOU) CO., LTD. (CN) 2024-04-04 — — US disclosed
EP-4257154-A1 BIOACTIVE SUBSTANCE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF Medilink Therapeutics (Suzhou) Co., Ltd. (CN) 2023-10-11 — — EP 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 (1 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-20240108745-A1 BIOACTIVE SUBSTANCE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF CTSL, VIP, FURIN NMT2 305/4885NMT1 451/4885HDAC4 3202/4885

“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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