SCHEMBL26058245

SCHEMBL26058245

CC/N=c1/ccc2c(-c3ccccc3C(=O)N3CCN(C(=O)CCC(=O)O)CC3)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 0.43
▸ FPR2 P25090 4/20 0.38
▸ USP2 O75604 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ NCOR2 Q9Y618 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ AVPR2 P30518 3/20 0.35
▸ IGLV6-57 P01721 2/20 0.35
▸ ABCB1 P08183 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ SCP2 P22307 1/20 0.34
▸ CFTR P13569 1/20 0.33
▸ PAX8 Q06710 1/20 0.33
▸ ATM Q13315 1/20 0.33

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
SCHEMBL18732965 0.91 TGM2 (0.50) TGM2NPY4RFPR2USP2MEN1
SCHEMBL26054317 0.88 TGM2 (0.48) TGM2NPY4RFPR2USP2MEN1
SCHEMBL12870952 0.86 TGM2 (0.60) TGM2NPY4RFPR2USP2MEN1
SCHEMBL17517217 0.84 TGM2 (0.42) TGM2FPR2USP2MEN1POLB
SCHEMBL15100483 0.84 TGM2 (0.42) TGM2FPR2USP2MEN1POLB
Hydrochloric Acid SCHEMBL11336327 0.84 TGM2 (0.42) TGM2FPR2USP2MEN1POLB
SCHEMBL13103120 0.83 TGM2 (0.61) TGM2NPY4RFPR2USP2MEN1
SCHEMBL12103999 0.82 MEN1 (0.43) TGM2FPR2USP2MEN1POLB
SCHEMBL13114579 0.81 TGM2 (0.58) TGM2NPY4RFPR2USP2MEN1
SCHEMBL15100480 0.81 ABCB1 (0.53) TGM2FPR2USP2MEN1POLB

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 413/4885FPR2 2678/4885

“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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