SCHEMBL1994403

SCHEMBL1994403

Cc1c(F)c(-c2ccccc2)cn1C.[Li]CCCC

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
BRD4 O60885 2/20 0.37
CREBBP Q92793 2/20 0.36
HSD11B1 P28845 3/20 0.36
NR1H3 Q13133 1/20 0.35
TLR8 Q9NR97 2/20 0.35
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
PSMB5 P28074 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL1127104 0.86 BRD4 (0.47) BRD4CREBBPHSD11B1
Biphenyl SCHEMBL27321119 0.66 DNM1 (0.46) TSHRHSD11B1MEN1KMT2A
SCHEMBL1992653 0.66 CNR1 (0.44) TSHRBRD4CNR1CNR2MEN1
Toluene SCHEMBL1752732 0.65 TSHR (0.55) TSHRCNR2
SCHEMBL1126708 0.65 BRD4 (0.47) BRD4CREBBP
SCHEMBL14288455 0.65 TSHR (0.50) TSHRBRD4HSD11B1NR1H3TLR8
Benzene SCHEMBL11774008 0.64 TSHR (0.40) TSHRMEN1KMT2A
SCHEMBL9438110 0.64 LTA4H (0.42) TSHRHSD11B1MEN1KMT2A
SCHEMBL14288449 0.63 TLR8 (0.47) TSHRTLR8CNR1CNR2
Bromobenzene SCHEMBL30480746 0.62 ALDH1A1 (0.50) TSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2011-06-23 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-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 TSHR 1769/4885BRD4 3630/4885CREBBP 4702/4885

“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.