SCHEMBL18784391

SCHEMBL18784391

CN(C)C(=O)Cn1c(C(F)(F)F)[n+](C)c2ccccc21.COS(=O)(=O)[O-]

nearest known ligand 0.46

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 known ✓ P11229 1/20 0.33
▸ CHRM3 known ✓ P20309 1/20 0.33
▸ LMNA P02545 5/20 0.46
▸ KDM4E B2RXH2 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ ATM Q13315 1/20 0.37
▸ GRIN1 Q05586 3/20 0.35
▸ GRIN2B Q13224 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ TSPO P30536 2/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ CHRM5 P08912 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ HPGD P15428 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
SCHEMBL17378547 0.90 ATM (0.43) LMNAATMGRIN1GRIN2BTSPO
SCHEMBL18784436 0.83 LMNA (0.49) LMNAKDM4ERAB9APOLBATM
SCHEMBL18784615 0.80 LMNA (0.55) LMNAKDM4ERAB9APOLBSMN1; SMN2
SCHEMBL18784458 0.78 LMNA (0.40) LMNAKDM4ERAB9APOLBATM
SCHEMBL18784573 0.77 LMNA (0.58) LMNAKDM4ERAB9APOLBSMN1; SMN2
SCHEMBL18784600 0.76 LMNA (0.49) LMNAKDM4ERAB9APOLBSMN1; SMN2
Dimethylformamide SCHEMBL18784393 0.75 LMNA (0.51) LMNAKDM4ERAB9APOLBSMN1; SMN2
SCHEMBL18784614 0.74 LMNA (0.38) LMNAKDM4ERAB9APOLBATM
Trifluoromethanesulfonic Acid SCHEMBL18784542 0.73 KCNH2 (0.41) LMNAPOLBATMSMN1; SMN2KCNH2
SCHEMBL18784580 0.71 LMNA (0.44) LMNAKDM4ERAB9AATMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3162799-B1 FLUOROALKYLATING AGENT KUMIAI CHEMICAL INDUSTRY CO (JP) 2021-03-10 — — EP disclosed
US-20190233380-A1 FLUOROALKYLATING AGENT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2019-08-01 — — US disclosed
US-10308613-B2 Fluoroalkylating agent KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2019-06-04 — — US disclosed
US-20170197920-A1 FLUOROALKYLATING AGENT IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2017-07-13 — — US disclosed
EP-3162799-A1 FLUOROALKYLATING AGENT Ihara Chemical Industry Co., Ltd. (JP) 2017-05-03 — — EP 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 (3 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-10308613-B2 Fluoroalkylating agent AFF1, AFF4, AFF2 CHRM1 113/4885CHRM3 631/4885LMNA 3147/4885
US-20190233380-A1 FLUOROALKYLATING AGENT AFF1, AFF4, AFF2 CHRM1 113/4885CHRM3 631/4885LMNA 3147/4885
US-20170197920-A1 FLUOROALKYLATING AGENT AFF1, AFF4, AFF2 CHRM1 113/4885CHRM3 631/4885LMNA 3147/4885

“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.

Send feedback