SCHEMBL24107635

SCHEMBL24107635

C=C(C)C(=O)NCCCn1ccnc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
ALDH1A1 P00352 5/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.50
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 1/20 0.40
ALPL P05186 2/20 0.39
ALPG P10696 2/20 0.39
ALPI P09923 1/20 0.39
PLAA Q9Y263 1/20 0.39
GFER P55789 1/20 0.39
NAMPT P43490 1/20 0.38
TBXAS1 P24557 1/20 0.38
ARG1 P05089 1/20 0.38
NOS1 P29475 1/20 0.38

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
SCHEMBL3051709 0.84 CA12 (0.60) CA12CA1CA2CA9ALDH1A1
SCHEMBL14031929 0.79 ALDH1A1 (0.59) CA12CA1CA2CA9ALDH1A1
SCHEMBL10364646 0.76 MTNR1A (0.54) CA12CA1CA2CA9ALDH1A1
SCHEMBL10856186 0.76 CA12 (0.51) CA12CA1CA2CA9ALDH1A1
SCHEMBL27220883 0.75 ALDH1A1 (0.67) CA12CA1CA2CA9ALDH1A1
SCHEMBL812138 0.74 ALDH1A1 (0.51) CA12CA1CA2CA9ALDH1A1
SCHEMBL3038961 0.74 ALDH1A1 (0.51) CA12CA1CA2CA9ALDH1A1
SCHEMBL10853038 0.74 TMEM97 (0.51) CA12CA1CA2CA9ALDH1A1
SCHEMBL3053615 0.74 KMT2A (0.65) CA12CA1CA2CA9ALDH1A1
Acetic Acid SCHEMBL14164721 0.73 ALDH1A1 (0.80) CA12CA1CA2CA9ALDH1A1

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
US-12180318-B2 Imidazolium zwitterion polymerizable compounds and ophthalmic devices incorporating them JOHNSON & JOHNSON VISION CARE, INC. (US) 2024-12-31 US disclosed
WO-2021255551-A1 IMIDAZOLIUM ZWITTERION POLYMERIZABLE COMPOUNDS AND OPHTHALMIC DEVICES INCORPORATING THEM JOHNSON & JOHNSON VISION CARE, INC. (US) 2021-12-23 WO disclosed
US-20210388141-A1 IMIDAZOLIUM ZWITTERION POLYMERIZABLE COMPOUNDS AND OPHTHALMIC DEVICES INCORPORATING THEM JOHNSON & JOHNSON VISION CARE, INC. 2021-12-16 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-20210388141-A1 IMIDAZOLIUM ZWITTERION POLYMERIZABLE COMPOUNDS AND OPHTHALMIC DEVICES INCORPORATING THEM ITPR3, RB1, ZW10 CA12 3233/4885CA1 4070/4885CA2 962/4885
US-12180318-B2 Imidazolium zwitterion polymerizable compounds and ophthalmic devices incorporating them ITPR3, ZW10, ITPR2 CA12 3372/4885CA1 4216/4885CA2 921/4885

“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.