SCHEMBL20549580

SCHEMBL20549580

CC(C)(C)c1ccc2[nH]cc(CC(N)C(=O)O)c2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.68
BLM P54132 3/20 0.68
KDM4E B2RXH2 3/20 0.68
MAPT P10636 3/20 0.68
HTR1A P08908 3/20 0.68
HTR2A P28223 3/20 0.68
HTR2C P28335 3/20 0.68
LMNA P02545 2/20 0.68
TSHR P16473 2/20 0.68
PMP22 Q01453 2/20 0.68
NPSR1 Q6W5P4 2/20 0.68
NFKB1 P19838 2/20 0.68
HTR2B P41595 2/20 0.68
ALDH1A1 P00352 1/20 0.68
CYP3A4 P08684 1/20 0.68
ADORA3 P0DMS8 1/20 0.68
ALOX15 P16050 1/20 0.68
SLC6A4 P31645 1/20 0.68
HTR7 P34969 1/20 0.68
MTOR P42345 1/20 0.68

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
SCHEMBL20549579 1.00 KMT2A (0.68) KMT2ABLMKDM4EMAPTHTR1A
SCHEMBL31369743 0.87 KMT2A (0.68) KMT2ABLMKDM4EMAPTHTR1A
SCHEMBL18029004 0.83 KMT2A (0.73) KMT2ABLMKDM4EMAPTHTR1A
SCHEMBL30406433 0.83 KMT2A (0.73) KMT2ABLMKDM4EMAPTHTR1A
SCHEMBL29527694 0.83 KMT2A (0.73) KMT2ABLMKDM4EMAPTHTR1A
SCHEMBL41266 0.83 KMT2A (0.73) KMT2ABLMKDM4EMAPTHTR1A
SCHEMBL7614399 0.83 KMT2A (0.73) KMT2ABLMKDM4EMAPTHTR1A
SCHEMBL41267 0.83 KMT2A (0.73) KMT2ABLMKDM4EMAPTHTR1A
Water SCHEMBL8346726 0.82 KMT2A (0.71) KMT2ABLMKDM4EMAPTHTR1A
Oxitriptan SCHEMBL28924441 0.82 NPSR1 (0.95) KMT2ABLMKDM4EMAPTHTR1A

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-10744180-B2 Therapy and kit for the prevention and treatment of cystic fibrosis TRUSTEES OF DARTMOUTH COLLEGE (US) 2020-08-18 US disclosed
US-20180318382-A1 THERAPY AND KIT FOR THE PREVENTION AND TREATMENT OF CYSTIC FIBROSIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-11-08 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-10744180-B2 Therapy and kit for the prevention and treatment of cystic fibrosis CFTR, CLCN2, PROKR1 KMT2A 4138/4885BLM 442/4885KDM4E 4748/4885
US-20180318382-A1 THERAPY AND KIT FOR THE PREVENTION AND TREATMENT OF CYSTIC FIBROSIS CFTR, CLCN2, PROKR1 KMT2A 4138/4885BLM 442/4885KDM4E 4748/4885

“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.