SCHEMBL2583045

SCHEMBL2583045

Ic1nnnn1COCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
ALDH1A1 P00352 2/20 0.40
HTT P42858 2/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.40
KDM4C Q9H3R0 1/20 0.38
P2RX7 Q99572 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GHSR Q92847 3/20 0.37
KMT2A Q03164 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
PKM P14618 1/20 0.36
NLRP3 Q96P20 1/20 0.36

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
SCHEMBL4527137 0.78 LMNA (0.57) TSHRALDH1A1LMNAP2RX7RAB9A
SCHEMBL9295958 0.74 SLC6A2 (0.50) TSHRALDH1A1HTTPOLBP2RX7
SCHEMBL3484200 0.73 GHSR (0.44) ALDH1A1POLBLMNAGHSR
SCHEMBL8112370 0.71 ALDH1A1 (0.44) ALDH1A1HTTPOLBP2RX7KMT2A
SCHEMBL12097815 0.69 TSHR (0.45) TSHRALDH1A1L3MBTL1
SCHEMBL6357664 0.68 P2RX7 (0.67) TSHRALDH1A1HTTPOLBLMNA
SCHEMBL10946607 0.67 KDM4C (0.68) TSHRALDH1A1KDM4CNPC1GHSR
SCHEMBL7265268 0.66 TSHR (0.45) TSHRALDH1A1HTTPOLBLMNA
SCHEMBL5311581 0.65 TSHR (1.00) TSHRALDH1A1POLBLMNACA1
SCHEMBL27380 0.65 TSHR (1.00) TSHRALDH1A1POLBLMNACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036506-A1 5-Iodotetrazoles LANXESS DEUTSCHLAND GMBH (DE) 2009-02-05 US claimed
EP-1773125-B1 5-IODOTETRAZOLES LANXESS DEUTSCHLAND GMBH (DE) 2008-05-21 EP claimed
US-8048903-B2 5-iodotetrazoles LANXESS DEUTSCHLAND GMBH (DE) 2011-11-01 US disclosed
US-20090036506-A1 5-Iodotetrazoles LANXESS DEUTSCHLAND GMBH (DE) 2009-02-05 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-20090036506-A1 5-Iodotetrazoles GPX4, CYP1A1, CYP2E1 TSHR 1603/4885ALDH1A1 123/4885HTT 3188/4885

“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.