SCHEMBL1757958

SCHEMBL1757958

CC(C)n1cc(I)c2ccccc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 3/20 0.40
CYP2C9 P11712 1/20 0.38
PTGDR Q13258 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
BRD4 O60885 5/20 0.37
USP5 P45974 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
POLB P06746 1/20 0.36
CCNT1 O60563 1/20 0.35
CCNA2 P20248 1/20 0.35

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
SCHEMBL28803098 0.83 TSHR (0.41) L3MBTL1SMN1; SMN2TSHRHSD17B10TDP1
SCHEMBL29809432 0.83 TSHR (0.41) L3MBTL1SMN1; SMN2TSHRHSD17B10TDP1
SCHEMBL18286388 0.79 BRD4 (0.43) L3MBTL1SMN1; SMN2TSHRHSD17B10TDP1
SCHEMBL21904789 0.78 L3MBTL1 (0.42) L3MBTL1SMN1; SMN2TSHRHSD17B10TDP1
SCHEMBL18313572 0.77 MEN1 (0.44) SMN1; SMN2TSHRHSD17B10TDP1ALDH1A1
SCHEMBL25004046 0.75 L3MBTL1 (0.40) L3MBTL1SMN1; SMN2TSHRHSD17B10TDP1
SCHEMBL24271641 0.75 BRD4 (0.58) L3MBTL1BRD4
SCHEMBL31309060 0.73 SMN1; SMN2 (0.38) L3MBTL1SMN1; SMN2TSHRHSD17B10TDP1
SCHEMBL22094637 0.73 SMN1; SMN2 (0.38) L3MBTL1SMN1; SMN2TSHRHSD17B10TDP1
SCHEMBL12647281 0.71 TSHR (0.37) L3MBTL1SMN1; SMN2TSHRHSD17B10TDP1

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-20110105509-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS WYETH, LLC (US) 2011-05-05 US disclosed
US-20110105509-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS WYETH, LLC (US) 2011-05-05 US disclosed
US-20110105509-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS WYETH, LLC (US) 2011-05-05 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-20110105509-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS HRH2, CRHR2, CRHR1 L3MBTL1 4814/4885SMN1; SMN2 4493/4885TSHR 94/4885

“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.