SCHEMBL26054317

SCHEMBL26054317

CC/N=c1/ccc2c(-c3ccccc3C(=O)N3CCNCC3)c3ccc(N(CC)CC)cc3oc-2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 1/20 0.48
▸ NPY4R P50391 3/20 0.39
▸ IGLV6-57 P01721 2/20 0.39
▸ USP2 O75604 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ NCOR2 Q9Y618 1/20 0.37
▸ FPR2 P25090 4/20 0.36
▸ ABCB1 P08183 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ AVPR2 P30518 1/20 0.35
▸ CDC25A P30304 1/20 0.35
▸ CDC25C P30307 1/20 0.35
▸ CFTR P13569 1/20 0.34
▸ PAX8 Q06710 1/20 0.34
▸ ATM Q13315 1/20 0.34

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
SCHEMBL17224287 0.89 TGM2 (0.45) TGM2NPY4RIGLV6-57USP2MEN1
SCHEMBL26058245 0.88 TGM2 (0.48) TGM2NPY4RIGLV6-57USP2MEN1
SCHEMBL18732965 0.87 TGM2 (0.50) TGM2NPY4RIGLV6-57USP2MEN1
SCHEMBL12119403 0.86 TGM2 (0.61) TGM2NPY4RIGLV6-57USP2MEN1
Hydrochloric Acid SCHEMBL13737398 0.85 TGM2 (0.60) TGM2NPY4RUSP2MEN1KMT2A
SCHEMBL15100483 0.85 TGM2 (0.42) TGM2USP2MEN1KMT2APOLB
SCHEMBL17517217 0.85 TGM2 (0.42) TGM2USP2MEN1KMT2APOLB
SCHEMBL12103999 0.84 MEN1 (0.43) TGM2IGLV6-57USP2MEN1KMT2A
Hydrochloric Acid SCHEMBL11336327 0.84 TGM2 (0.42) TGM2USP2MEN1KMT2APOLB
SCHEMBL18084345 0.82 FPR2 (0.43) TGM2IGLV6-57USP2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230271983-A1 FUNCTIONALIZED ISONITRILES AND PRODUCTS, PREPARATION AND USES THEREOF UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) 2023-08-31 — — 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 (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-20230271983-A1 FUNCTIONALIZED ISONITRILES AND PRODUCTS, PREPARATION AND USES THEREOF KIT, MACF1, IK TGM2 3357/4885NPY4R 413/4885IGLV6-57 112/4885

“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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