SCHEMBL21225176

SCHEMBL21225176

O=C(NC[C@@H]1CCNC1)c1cc2cc(Cl)c(F)c(F)c2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 8/20 0.45
▸ CHRM3 P20309 2/20 0.41
▸ SMYD3 Q9H7B4 2/20 0.41
▸ CHRM2 P08172 1/20 0.40
▸ CHRM4 P08173 1/20 0.40
▸ CHRM5 P08912 1/20 0.40
▸ PBK Q96KB5 1/20 0.39
▸ LMNA P02545 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
SCHEMBL21225330 1.00 CHRM1 (0.45) CHRM1CHRM3SMYD3CHRM2CHRM4
SCHEMBL21225177 1.00 CHRM1 (0.45) CHRM1CHRM3SMYD3CHRM2CHRM4
SCHEMBL21225618 0.81 SYK (0.43) SMYD3PBK
SCHEMBL21225690 0.81 SYK (0.43) SMYD3PBK
SCHEMBL21225620 0.81 SYK (0.43) SMYD3PBK
SCHEMBL21225574 0.78 TAS1R3 (0.38) —
SCHEMBL21225682 0.78 MLLT1 (0.41) SMYD3
SCHEMBL29990642 0.78 MLLT1 (0.41) SMYD3
SCHEMBL21225377 0.77 SYK (0.49) PBK
SCHEMBL21225769 0.77 SYK (0.49) PBK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018033-B2 Inhibitors of protein arginine deiminases FORWARD THERAPEUTICS, INC. (US) 2024-06-25 — — US claimed
US-11453676-B2 Inhibitors of protein arginine deiminases FORWARD THERAPEUTICS, INC. (US) 2022-09-27 — — US claimed
US-20210053975-A1 INHIBITORS OF PROTEIN ARGININE DEIMINASES FORWARD THERAPEUTICS, INC. 2021-02-25 — — US claimed
EP-3746430-A1 INHIBITORS OF PROTEIN ARGININE DEIMINASES Padforward LLC (US) 2020-12-09 — — EP claimed
WO-2019152883-A1 INHIBITORS OF PROTEIN ARGININE DEIMINASES PADFORWARD LLC (US) 2019-08-08 — — WO claimed
US-12018033-B2 Inhibitors of protein arginine deiminases FORWARD THERAPEUTICS, INC. (US) 2024-06-25 — — US disclosed
US-20230151018-A1 INHIBITORS OF PROTEIN ARGININE DEIMINASES FORWARD THERAPEUTICS, INC. 2023-05-18 — — US disclosed
US-20230151018-A1 INHIBITORS OF PROTEIN ARGININE DEIMINASES FORWARD THERAPEUTICS, INC. 2023-05-18 — — US disclosed
US-11453676-B2 Inhibitors of protein arginine deiminases FORWARD THERAPEUTICS, INC. (US) 2022-09-27 — — US disclosed
US-20210053975-A1 INHIBITORS OF PROTEIN ARGININE DEIMINASES FORWARD THERAPEUTICS, INC. 2021-02-25 — — US disclosed
US-20210053975-A1 INHIBITORS OF PROTEIN ARGININE DEIMINASES FORWARD THERAPEUTICS, INC. 2021-02-25 — — US disclosed
WO-2019152883-A1 INHIBITORS OF PROTEIN ARGININE DEIMINASES PADFORWARD LLC (US) 2019-08-08 — — WO 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 (4 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-20230151018-A1 INHIBITORS OF PROTEIN ARGININE DEIMINASES PADI2, PADI1, PADI4 CHRM1 2971/4885CHRM3 3253/4885SMYD3 650/4885
US-11453676-B2 Inhibitors of protein arginine deiminases PADI2, PADI1, PADI4 CHRM1 3158/4885CHRM3 3533/4885SMYD3 894/4885
US-20210053975-A1 INHIBITORS OF PROTEIN ARGININE DEIMINASES PADI2, PADI1, PADI4 CHRM1 2971/4885CHRM3 3253/4885SMYD3 650/4885
US-12018033-B2 Inhibitors of protein arginine deiminases PADI2, PADI1, PADI4 CHRM1 3243/4885CHRM3 3645/4885SMYD3 938/4885

“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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