SCHEMBL7323486

SCHEMBL7323486

O=C(/C=C/c1ccccc1Cl)Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 3/20 0.58
MAPT P10636 8/20 0.54
RAB9A P51151 7/20 0.54
NPC1 O15118 5/20 0.54
MAOB P27338 2/20 0.54
MAOA P21397 1/20 0.54
TP53 P04637 4/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 7/20 0.52
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 6/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
THRB P10828 3/20 0.50
ALDH1A1 P00352 3/20 0.50
LMNA P02545 3/20 0.49
TRPC3 Q13507 2/20 0.49

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
SCHEMBL7323496 1.00 ORAI1 (0.58) ORAI1MAPTRAB9ANPC1MAOB
SCHEMBL7327214 0.81 ORAI1 (0.53) ORAI1MAPTRAB9ANPC1TP53
SCHEMBL7327206 0.81 ORAI1 (0.53) ORAI1MAPTRAB9ANPC1TP53
SCHEMBL7320259 0.80 ORAI1 (0.69) ORAI1MAPTRAB9ATP53KDM4E
SCHEMBL7319703 0.80 ORAI1 (0.45) ORAI1MAPTTP53CYP1A2KMT2A
SCHEMBL7319698 0.80 ORAI1 (0.45) ORAI1MAPTTP53CYP1A2KMT2A
SCHEMBL7315526 0.77 TP53 (0.71) ORAI1MAPTRAB9ANPC1TP53
SCHEMBL7319374 0.76 ORAI1 (0.60) ORAI1MAPTRAB9ANPC1TP53
SCHEMBL7321270 0.76 ORAI1 (0.66) ORAI1MAPTRAB9ANPC1TP53
SCHEMBL7326962 0.76 ORAI1 (0.66) ORAI1MAPTTP53KDM4ESMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010044445-A1 AZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES 2001-11-22 US claimed
EP-1068187-A1 PYRAZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES (US) 2001-01-17 EP claimed
WO-1999051580-A1 PYRAZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES (US) 1999-10-14 WO claimed
US-20010044445-A1 AZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES 2001-11-22 US disclosed
EP-1068187-A1 PYRAZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES (US) 2001-01-17 EP disclosed
WO-1999051580-A1 PYRAZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES (US) 1999-10-14 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-20010044445-A1 AZOLE INHIBITORS OF CYTOKINE PRODUCTION IL5, IL2, IL4 ORAI1 3522/4885MAPT 2674/4885RAB9A 4227/4885

“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.