SCHEMBL21005661

SCHEMBL21005661

CCCCCCCC(C)c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ TBXAS1 P24557 3/20 0.46
▸ LMNA P02545 3/20 0.42
▸ POLB P06746 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ CFTR P13569 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ GOPC Q9HD26 1/20 0.42
▸ KCNA5 P22460 2/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP19A1 P11511 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KCNN4 O15554 1/20 0.39

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
SCHEMBL28166486 1.00 L3MBTL1 (0.49) L3MBTL1TDP1TBXAS1LMNAPOLB
SCHEMBL18638771 1.00 L3MBTL1 (0.49) L3MBTL1TDP1TBXAS1LMNAPOLB
Bromide SCHEMBL23004553 0.98 L3MBTL1 (0.47) L3MBTL1TDP1TBXAS1LMNAPOLB
Hydrochloric Acid SCHEMBL2209793 0.98 L3MBTL1 (0.47) L3MBTL1TDP1TBXAS1LMNAPOLB
Fluoride SCHEMBL29252822 0.98 L3MBTL1 (0.47) L3MBTL1TDP1TBXAS1LMNAPOLB
Hydrochloric Acid SCHEMBL29252417 0.98 L3MBTL1 (0.47) L3MBTL1TDP1TBXAS1LMNAPOLB
SCHEMBL18737228 0.98 L3MBTL1 (0.50) L3MBTL1TDP1TBXAS1LMNAPOLB
Hydrochloric Acid SCHEMBL2207480 0.97 L3MBTL1 (0.49) L3MBTL1TDP1TBXAS1LMNAPOLB
SCHEMBL15417856 0.93 L3MBTL1 (0.47) L3MBTL1TDP1TBXAS1LMNASMN1; SMN2
SCHEMBL24016025 0.93 L3MBTL1 (0.47) L3MBTL1TDP1TBXAS1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108178923-B Modified nylon fiber master batch and modified nylon fiber prepared from same 南方科技大学 2020-12-08 — — CN disclosed
US-10544130-B2 Metallo-beta-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-01-28 — — US disclosed
US-20190144432-A1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-05-16 — — 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 (2 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-10544130-B2 Metallo-beta-lactamase inhibitors MLX, ZFX, MMP12 L3MBTL1 727/4885TDP1 3496/4885TBXAS1 3377/4885
US-20190144432-A1 METALLO-BETA-LACTAMASE INHIBITORS MLX, ZFX, MMP12 L3MBTL1 727/4885TDP1 3496/4885TBXAS1 3377/4885

“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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