SCHEMBL19655021

SCHEMBL19655021

CCN(CC)c1cc2oc3cc(=[N+](CC)CC)ccc-3c(-c3ccccc3C(=O)N3CCCCC3)c2cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 1/20 0.48
▸ NPY4R P50391 3/20 0.39
▸ POLB P06746 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ NCOR2 Q9Y618 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ FPR2 P25090 4/20 0.38
▸ AVPR2 P30518 3/20 0.38
▸ CHRM1 P11229 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HTT P42858 1/20 0.35

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
SCHEMBL19655019 0.87 USP2 (0.43) TGM2POLBMEN1KMT2AUSP2
SCHEMBL19655020 0.80 USP2 (0.38) TGM2NPY4RPOLBMEN1KMT2A
SCHEMBL18087519 0.79 TGM2 (0.62) TGM2NPY4RPOLBMEN1KMT2A
SCHEMBL12119403 0.78 TGM2 (0.61) TGM2NPY4RPOLBMEN1KMT2A
SCHEMBL17399553 0.77 TGM2 (0.65) TGM2NPY4RPOLBMEN1KMT2A
Hydrochloric Acid SCHEMBL13737398 0.77 TGM2 (0.60) TGM2NPY4RPOLBMEN1KMT2A
SCHEMBL12870952 0.76 TGM2 (0.60) TGM2NPY4RPOLBMEN1KMT2A
SCHEMBL18067135 0.75 TGM2 (0.60) TGM2NPY4RPOLBMEN1KMT2A
SCHEMBL18732968 0.75 TGM2 (0.61) TGM2NPY4RPOLBMEN1KMT2A
SCHEMBL13103120 0.75 TGM2 (0.61) TGM2NPY4RPOLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170342031-A1 QUENCHER WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2017-11-30 — — US disclosed
US-20170342031-A1 QUENCHER WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2017-11-30 — — 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-20170342031-A1 QUENCHER AHR, GFER, AKR1A1 TGM2 3606/4885NPY4R 2022/4885POLB 1849/4885

“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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