SCHEMBL19195010

SCHEMBL19195010

CN(Cc1ccccn1)C1CCC(I)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ LIN28A Q9H9Z2 1/20 0.45
▸ RAB9A P51151 1/20 0.43
▸ MCHR1 Q99705 1/20 0.41
▸ SLC6A2 P23975 3/20 0.40
▸ SLC6A4 P31645 3/20 0.40
▸ SLC6A3 Q01959 3/20 0.40
▸ TSHR P16473 3/20 0.40
▸ CHRM2 P08172 1/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ KCNA5 P22460 1/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ POLB P06746 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
SCHEMBL19477704 1.00 TDP1 (0.45) TDP1MAPTSMN1; SMN2LIN28ARAB9A
SCHEMBL17888208 0.92 TDP1 (0.52) TDP1MAPTSMN1; SMN2LIN28ARAB9A
SCHEMBL17297790 0.86 SMN1; SMN2 (0.46) TDP1MAPTSMN1; SMN2LIN28ARAB9A
SCHEMBL13744480 0.86 SMN1; SMN2 (0.46) TDP1MAPTSMN1; SMN2LIN28ARAB9A
SCHEMBL17297961 0.86 SMN1; SMN2 (0.46) TDP1MAPTSMN1; SMN2LIN28ARAB9A
SCHEMBL17376555 0.86 TSHR (0.51) TDP1MAPTSMN1; SMN2LIN28ARAB9A
SCHEMBL10508734 0.85 RAB9A (0.46) TDP1MAPTSMN1; SMN2LIN28ARAB9A
SCHEMBL10508730 0.85 RAB9A (0.46) TDP1MAPTSMN1; SMN2LIN28ARAB9A
SCHEMBL3122498 0.84 TSHR (0.50) TDP1MAPTSMN1; SMN2LIN28ARAB9A
SCHEMBL19102403 0.84 TDP1 (0.44) TDP1MAPTSMN1; SMN2LIN28ARAB9A

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
EP-2935264-B1 1,4-PYRIDONE BICYCLIC HETEROARYL COMPOUNDS EPIZYME INC (US) 2017-10-18 — — EP disclosed
EP-3022184-B1 SUBSTITUTED BENZENE COMPOUNDS EPIZYME INC (US) 2017-09-27 — — EP disclosed
US-20170217941-A1 SUBSTITUTED BENZENE AND 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2017-08-03 — — 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-20170217941-A1 SUBSTITUTED BENZENE AND 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS BCOR, CYP2B6, AHR TDP1 2233/4885MAPT 4625/4885SMN1; SMN2 3952/4885

“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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