SCHEMBL18527599

SCHEMBL18527599

Cc1cc(C)c([N+]2=CN(c3ccccc3O)CC2)c(C)c1.F[B-](F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.32
▸ TSHR P16473 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ HIF1A Q16665 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HTT P42858 1/20 0.30

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
Hydrochloric Acid SCHEMBL3156594 0.93 GAA (0.34) LMNATSHRHSD17B10RAB9AGAA
SCHEMBL17203573 0.90 MEN1 (0.31) GAAMEN1KMT2AALDH1A1HPGD
SCHEMBL18527602 0.80 GABRA1 (0.37) LMNATSHRGAASMN1; SMN2ALDH1A1
SCHEMBL17203575 0.77 IDH1 (0.31) —
Hydrochloric Acid SCHEMBL1697483 0.74 MAPT (0.34) RAB9ASMN1; SMN2ALDH1A1CYP1A2MAPT
Hydrochloric Acid SCHEMBL3156602 0.73 GABRA1 (0.40) LMNATSHRHSD17B10GAASMN1; SMN2
SCHEMBL1946824 0.71 HRH3 (0.32) —
SCHEMBL442095 0.71 ALDH1A1 (0.33) SMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL21048966 0.71 GABRA1 (0.36) LMNATSHRGAACYP1A2HPGD
Hydrochloric Acid SCHEMBL1609624 0.70 — —

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
CN-106459112-B N-heterocyclic carbene complexes of metalloiminoalkylenes and metallooxoalkylenes and use thereof 斯图加特大学 2020-06-12 — — CN disclosed
US-10072036-B2 N-heterocyclic carbene complexes of metal imido alkylidenes and metal OXO alkylidenes, and the use of same Universität Stuttgart (DE) 2018-09-11 — — US disclosed
US-20170050994-A1 N-Heterocyclic Carbene Complexes Of Metal Imido Alkylidenes And Metal OXO Alkylidenes, And The Use Of Same Universität Stuttgart (DE) 2017-02-23 — — 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 (2 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-20170050994-A1 N-Heterocyclic Carbene Complexes Of Metal Imido Alkylidenes And Metal OXO Alkylidenes, And The Use Of Same NR2C2, NR2E3, NR0B2 LMNA 1689/4885TSHR 1011/4885HSD17B10 1182/4885
US-10072036-B2 N-heterocyclic carbene complexes of metal imido alkylidenes and metal OXO alkylidenes, and the use of same NR2C2, NR2E3, NR0B2 LMNA 1689/4885TSHR 1011/4885HSD17B10 1182/4885

“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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