SCHEMBL7328236

SCHEMBL7328236

O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)C1CCCO1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ORAI1 Q96D31 3/20 0.54
ALDH1A1 P00352 2/20 0.52
TRPC3 Q13507 2/20 0.51
TRPC1 P48995 1/20 0.51
STIM1 Q13586 1/20 0.51
HPGD P15428 5/20 0.50
TP53 P04637 2/20 0.50
TRPC5 Q9UL62 1/20 0.50
CYP2C9 P11712 1/20 0.49
RAB9A P51151 2/20 0.48
MAPT P10636 1/20 0.48
NPC1 O15118 1/20 0.47
THRB P10828 1/20 0.47

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
SCHEMBL7323973 0.84 ORAI1 (0.59) ORAI1ALDH1A1TRPC3TRPC1STIM1
SCHEMBL7315606 0.83 ORAI1 (0.61) ORAI1TRPC3TRPC1STIM1TP53
SCHEMBL7237459 0.83 ORAI1 (0.58) ORAI1ALDH1A1TRPC3TRPC1STIM1
SCHEMBL7316184 0.83 ORAI1 (0.58) ORAI1ALDH1A1TRPC3TRPC1STIM1
SCHEMBL7325945 0.82 ORAI1 (0.53) ORAI1TRPC3TRPC1STIM1TP53
SCHEMBL7325938 0.82 ORAI1 (0.53) ORAI1TRPC3TRPC1STIM1TP53
SCHEMBL7313172 0.81 ORAI1 (0.54) ORAI1TRPC3TRPC1STIM1TP53
SCHEMBL7254955 0.80 TP53 (0.58) MEN1KMT2AORAI1ALDH1A1TRPC3
SCHEMBL7327914 0.80 ORAI1 (0.57) ORAI1TRPC3TRPC1STIM1TP53
SCHEMBL7319584 0.79 ORAI1 (0.55) ORAI1TRPC3TRPC1STIM1TP53

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 POLB 4430/4885MEN1 1025/4885KMT2A 3552/4885

“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.