SCHEMBL6168420

SCHEMBL6168420

Clc1nccc(CCc2c[nH]c3ccccc23)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.49
CYP3A4 P08684 2/20 0.49
HTR2C P28335 2/20 0.49
CYP1A2 P05177 2/20 0.49
MPO P05164 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2A6 P11509 1/20 0.49
NFKB1 P19838 1/20 0.49
HTR1D P28221 1/20 0.49
HTR1B P28222 1/20 0.49
HTR7 P34969 1/20 0.49
CTSK P43235 1/20 0.49
HTR6 P50406 1/20 0.49
CYP2A13 Q16696 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
PMP22 Q01453 1/20 0.48
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 1/20 0.46
AHR P35869 1/20 0.46

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
SCHEMBL2598587 0.79 KMT2A (0.62) HTR2ACYP3A4CYP1A2CYP2D6HTR7
SCHEMBL734448 0.78 HTR2A (0.56) HTR2ACYP3A4HTR2CCYP1A2MPO
SCHEMBL6168587 0.77 HTR2A (0.51) HTR2ACYP3A4HTR2CCYP1A2MPO
SCHEMBL4985934 0.76 HTR2A (0.77) HTR2ACYP3A4HTR2CCYP1A2MPO
SCHEMBL6166981 0.76 EIF2AK2 (0.63) HTR2ACYP1A2HTR7HTR6KMT2A
SCHEMBL6169179 0.74 HTR1A (0.47) HTR2ACYP1A2KMT2AMEN1MAPT
SCHEMBL6166811 0.74 KMT2A (0.52) HTR2ACYP1A2HTR7KMT2AMEN1
SCHEMBL6169123 0.74 KMT2A (0.52) HTR2ACYP1A2HTR7KMT2AMEN1
SCHEMBL3167568 0.74 HTR2A (0.54) HTR2ACYP3A4HTR2CCYP1A2MPO
SCHEMBL30698008 0.72 HTR2A (0.53) HTR2ACYP3A4HTR2CCYP1A2MPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050124620-A1 Indole derivatives having an acidic moiety that inhibit or modulate activity of p38 map kinase mediating a disease state; e.g., 3-(2-(4-pyridyl)ethyl)-5-(3-trifluoromethoxybenzamido)indole; enzyme inhibitors; antiarthritic, -inflammatory, and -carcinogenic agents; respiratory disorders; AIDS; Alzheimer's FREDERICKSON MARTYN (GB) 2005-06-09 US disclosed
EP-1495016-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS MODULATORS OF P38 MAP KINASE Astex Technology Limited (GB) 2005-01-12 EP disclosed
WO-2003087087-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS MODULATORS OF P38 MAP KINASE ASTEX TECHNOLOGY LIMITED (GB) 2003-10-23 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-20050124620-A1 Indole derivatives having an acidic moiety that inhibit or modulate activity of p38 map kinase mediating a disease state; e.g., 3-(2-(4-pyridyl)ethyl)-5-(3-trifluoromethoxybenzamido)indole; enzyme inhibitors; antiarthritic, -inflammatory, and -carcinogenic agents; respiratory disorders; AIDS; Alzheimer's MAPK1, IDO1, INMT HTR2A 1350/4885CYP3A4 1382/4885HTR2C 1176/4885

“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.