SCHEMBL7325618

SCHEMBL7325618

N#Cc1cccc(NCc2ccc(-n3nc(C(F)(F)F)cc3C(F)(F)F)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
NOS1 P29475 1/20 0.45
THRB P10828 1/20 0.41
TRPC3 Q13507 3/20 0.41
ORAI1 Q96D31 3/20 0.41
HDAC4 P56524 1/20 0.40
MEF2D Q14814 1/20 0.40
TP53 P04637 2/20 0.40
PDPK1 O15530 2/20 0.39
TRPC1 P48995 1/20 0.38
STIM1 Q13586 1/20 0.38
VNN1 O95497 1/20 0.38
MAPT P10636 1/20 0.38
KLKB1 P03952 1/20 0.38
TRPC5 Q9UL62 1/20 0.38

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
SCHEMBL7325471 0.82 HDAC1 (0.42) HDAC1HDAC8HDAC6NOS1PDPK1
SCHEMBL7328606 0.80 THRB (0.59) THRBTRPC3ORAI1TP53TRPC1
SCHEMBL7319850 0.79 ORAI1 (0.64) THRBTRPC3ORAI1TP53TRPC1
SCHEMBL7325794 0.78 TRPC3 (0.49) HDAC1HDAC8HDAC6THRBTRPC3
SCHEMBL7325298 0.78 TRPC3 (0.49) HDAC1HDAC8HDAC6THRBTRPC3
SCHEMBL4752045 0.77 PDPK1 (0.54) THRBTRPC3ORAI1TP53PDPK1
SCHEMBL7233341 0.76 TRPC3 (0.53) THRBTRPC3ORAI1TP53TRPC1
SCHEMBL7322669 0.76 PDPK1 (0.42) THRBTRPC3ORAI1TP53PDPK1
SCHEMBL7320721 0.76 PDPK1 (0.42) THRBTRPC3ORAI1TP53PDPK1
SCHEMBL7320709 0.76 PDPK1 (0.42) THRBTRPC3ORAI1TP53PDPK1

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 HDAC1 738/4885HDAC8 1461/4885HDAC6 1024/4885

“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.