SCHEMBL20117848

SCHEMBL20117848

Cc1cccc(C)c1NC(=O)CC(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
CYP1A2 P05177 2/20 0.59
CYP2C9 P11712 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
NFKB1 P19838 1/20 0.59
CYP2C19 P33261 1/20 0.59
F2R P25116 1/20 0.56
LMNA P02545 4/20 0.56
MAPT P10636 3/20 0.56
SCN3A Q9NY46 3/20 0.56
SCN1A P35498 2/20 0.56
SCN2A Q99250 2/20 0.56
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56

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
SCHEMBL22412512 0.86 KMT2A (0.56) MEN1KMT2ACYP1A2CYP2C9SMN1; SMN2
SCHEMBL11428453 0.86 KMT2A (0.56) MEN1KMT2ACYP1A2CYP2C9SMN1; SMN2
Hydrochloric Acid SCHEMBL11415653 0.84 KMT2A (0.54) MEN1KMT2ACYP1A2CYP2C9NFKB1
SCHEMBL27945109 0.82 MAPT (0.57) MEN1KMT2ACYP1A2CYP2C9SMN1; SMN2
SCHEMBL13541546 0.82 HDAC3 (0.61) MEN1KMT2ACYP1A2CYP2C9NFKB1
SCHEMBL28164480 0.82 MEN1 (0.53) MEN1KMT2ACYP1A2CYP2C9NFKB1
SCHEMBL23317213 0.81 BRD4 (0.60) MEN1KMT2ACYP1A2CYP2C9NFKB1
SCHEMBL13129135 0.80 ALDH1A1 (0.54) CYP1A2CYP2C9SMN1; SMN2CYP2C19F2R
SCHEMBL7876163 0.80 SMN1; SMN2 (0.57) KMT2ACYP1A2CYP2C9SMN1; SMN2CYP2C19
SCHEMBL4960066 0.80 HPGD (0.62) SMN1; SMN2F2RLMNAMAPTHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11701370-B2 Phosphonium ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2023-07-18 US disclosed
US-11701370-B2 Phosphonium ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2023-07-18 US disclosed
US-11643404-B2 Ester substituted ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2023-05-09 US disclosed
US-11643404-B2 Ester substituted ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2023-05-09 US disclosed
US-20210128589-A1 PHOSPHONIUM ION CHANNEL BLOCKERS AND METHODS FOR USE Nocion Therapeutics, Inc. 2021-05-06 US disclosed
US-20210070734-A1 ESTER SUBSTITUTED ION CHANNEL BLOCKERS AND METHODS FOR USE NOCION THERAPEUTICS INC (US) 2021-03-11 US disclosed
US-10927096-B2 Ester substituted ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2021-02-23 US disclosed
US-20200290991-A1 ESTER SUBSTITUTED ION CHANNEL BLOCKERS AND METHODS FOR USE Nocion Therapeutics, Inc. 2020-09-17 US disclosed
EP-3315126-A1 CONJUGATE OF POLYETHYLENE GLYCOL AND ANESTHETIC, AND PREPARATION METHOD THEREOF Jenkem Technology Co. Ltd. (Tianjin) (CN) 2018-05-02 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 (6 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-20210128589-A1 PHOSPHONIUM ION CHANNEL BLOCKERS AND METHODS FOR USE TRPV1, TRPV5, TRPA1 MEN1 3153/4885KMT2A 3568/4885CYP1A2 3866/4885
US-20210070734-A1 ESTER SUBSTITUTED ION CHANNEL BLOCKERS AND METHODS FOR USE TRPV1, TRPA1, TRPV2 MEN1 3533/4885KMT2A 2763/4885CYP1A2 1618/4885
US-10927096-B2 Ester substituted ion channel blockers and methods for use TRPV1, TRPA1, TRPV2 MEN1 3533/4885KMT2A 2763/4885CYP1A2 1618/4885
US-20200290991-A1 ESTER SUBSTITUTED ION CHANNEL BLOCKERS AND METHODS FOR USE TRPV1, TRPA1, TRPV2 MEN1 3533/4885KMT2A 2763/4885CYP1A2 1618/4885
US-11701370-B2 Phosphonium ion channel blockers and methods for use TRPV1, TRPV5, TRPA1 MEN1 3153/4885KMT2A 3568/4885CYP1A2 3866/4885
US-11643404-B2 Ester substituted ion channel blockers and methods for use TRPV1, TRPA1, TRPV2 MEN1 3533/4885KMT2A 2763/4885CYP1A2 1618/4885

“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.