SCHEMBL16710643

SCHEMBL16710643

COCc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
NPC1 O15118 2/20 0.66
RAB9A P51151 2/20 0.66
GMNN O75496 1/20 0.66
LMNA P02545 1/20 0.66
TP53 P04637 1/20 0.66
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66
HTR1A P08908 1/20 0.66
THRB P10828 1/20 0.66
PIM1 P11309 1/20 0.66
CYP2C9 P11712 1/20 0.66
MAOA P21397 1/20 0.66
SLC6A2 P23975 1/20 0.66
HTR2A P28223 1/20 0.66
AGTR1 P30556 1/20 0.66
CCKBR P32239 1/20 0.66
MC4R P32245 1/20 0.66
CYP2C19 P33261 1/20 0.66

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
SCHEMBL9395692 0.89 DHODH (0.65) DHODHSMN1; SMN2NPC1RAB9AGMNN
SCHEMBL9395986 0.89 SMN1; SMN2 (0.51) DHODHSMN1; SMN2NPC1RAB9AGMNN
SCHEMBL9393499 0.87 DHODH (0.65) DHODHSMN1; SMN2NPC1RAB9AGMNN
SCHEMBL11497402 0.86 DHODH (0.73) DHODHSMN1; SMN2NPC1RAB9AGMNN
SCHEMBL9392374 0.85 DHODH (0.62) DHODHSMN1; SMN2NPC1RAB9AGMNN
SCHEMBL16708425 0.85 RAB9A (0.48) DHODHSMN1; SMN2NPC1RAB9AGMNN
SCHEMBL16710645 0.85 DHODH (0.68) DHODHSMN1; SMN2NPC1RAB9AGMNN
SCHEMBL11441665 0.84 DHODH (0.67) DHODHSMN1; SMN2NPC1RAB9AGMNN
SCHEMBL8808855 0.84 DHODH (0.67) DHODHSMN1; SMN2NPC1RAB9AGMNN
SCHEMBL8811917 0.83 DHODH (0.65) DHODHSMN1; SMN2NPC1RAB9AGMNN

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-9434729-B2 Compositions and methods for the treatment of periodontitis and rheumatoid arthritis CELLIX BIO PRIVATE LIMITED (IN) 2016-09-06 US disclosed
US-20150133475-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PERIODONTITIS AND RHEUMATOID ARTHRITIS CELLIX BIO PRIVATE LIMITED (IN) 2015-05-14 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-20150133475-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PERIODONTITIS AND RHEUMATOID ARTHRITIS RORC, IL17A, PTGER1 DHODH 2084/4885SMN1; SMN2 3748/4885NPC1 2165/4885

“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.