SCHEMBL4984958

SCHEMBL4984958

O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ncnc2c1CCN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.42
PKM P14618 6/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 2/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 1/20 0.39
PKLR P30613 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL4986254 0.90 LMNA (0.44) PKMALDH1A1LMNAMAPTCA12
SCHEMBL14272427 0.89 TSHR (0.49) RAB9APKMALDH1A1POLBTSHR
SCHEMBL13532390 0.87 PKM (0.42) RAB9APKMALDH1A1ALOX15TSHR
SCHEMBL4982801 0.86 CA12 (0.41) PKMTSHRLMNAGAAMAPT
SCHEMBL4988078 0.86 P2RX7 (0.43) TSHRLMNACA12CA9
SCHEMBL4982810 0.86 P2RX7 (0.47) ALDH1A1TSHRGAACA12CA9
SCHEMBL5014908 0.85 KMT2A (0.43) TSHRCA12CA9
SCHEMBL4985280 0.85 P2RX7 (0.43) TSHRCA12CA9
SCHEMBL4989548 0.85 CA12 (0.42) ALDH1A1POLBTSHRCA12CA9
SCHEMBL4985374 0.85 P2RX7 (0.47) ALDH1A1POLBTSHRLMNAGAA

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-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 US claimed
US-7297700-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2007-11-20 US claimed
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 US disclosed
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 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-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 RAB9A 3422/4885PKM 1098/4885ALDH1A1 3640/4885

“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.