SCHEMBL18825628

SCHEMBL18825628

O=C(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1cccnc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 1/20 0.63
▸ EPHX2 P34913 2/20 0.63
▸ ROCK2 O75116 1/20 0.62
▸ ROCK1 Q13464 1/20 0.62
▸ MLYCD O95822 1/20 0.62
▸ KMT2A Q03164 3/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ TSHR P16473 1/20 0.61
▸ LMNA P02545 1/20 0.60
▸ HIF1A Q16665 1/20 0.60
▸ NAMPT P43490 2/20 0.58
▸ NPC1 O15118 2/20 0.58
▸ RAB9A P51151 2/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ TP53 P04637 1/20 0.58
▸ ABCC9 O60706 1/20 0.57
▸ ABCC8 Q09428 1/20 0.57
▸ KCNJ11 Q14654 1/20 0.57
▸ KCNJ8 Q15842 1/20 0.57
▸ KCNK3 O14649 1/20 0.57

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
SCHEMBL7126678 0.88 ROCK2 (0.64) EPHX2ROCK2ROCK1KMT2AMEN1
SCHEMBL5665029 0.87 EPHX2 (0.76) EPHX2ROCK2ROCK1KMT2AMEN1
SCHEMBL31078105 0.84 RORC (0.77) RORCEPHX2MLYCDKMT2AMEN1
SCHEMBL5314168 0.84 RORC (0.77) RORCMLYCDKMT2AMEN1NPC1
SCHEMBL13167592 0.82 NAMPT (0.82) ROCK2ROCK1KMT2AMEN1LMNA
SCHEMBL11161284 0.81 ROCK2 (0.66) EPHX2ROCK2ROCK1KMT2AMEN1
SCHEMBL29362556 0.80 ROCK2 (0.73) ROCK2ROCK1KMT2AMEN1LMNA
SCHEMBL9031269 0.80 ROCK2 (0.73) ROCK2ROCK1KMT2AMEN1LMNA
SCHEMBL6122991 0.78 ABL1 (0.76) ROCK2ROCK1KMT2ANPC1RAB9A
SCHEMBL4880524 0.78 RORC (1.00) RORCEPHX2KMT2AMEN1LMNA

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-20240245633-A1 ROR Gamma Agonists as Enhancers of Protective Immunity UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2024-07-25 — — US disclosed
WO-2017079120-A1 ROR GAMMA AGONISTS AS ENHANCERS OF PROTECTIVE IMMUNITY THE SCRIPPS RESEARCH INSTITUTE (US) 2017-05-11 — — WO 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-20240245633-A1 ROR Gamma Agonists as Enhancers of Protective Immunity RORC, RORB, RORA RORC 1/4885EPHX2 3446/4885ROCK2 2624/4885

“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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