SCHEMBL14136223

SCHEMBL14136223

CCCc1nccc(C)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.41
GRM5 P41594 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALOX15 P16050 1/20 0.37
PDE10A Q9Y233 2/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
KDM4E B2RXH2 3/20 0.36
LMNA P02545 2/20 0.36
SLC19A2 O60779 1/20 0.36
USP2 O75604 1/20 0.36
CASP1 P29466 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
TLR8 Q9NR97 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP3A4 P08684 1/20 0.34

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
SCHEMBL1767822 0.88 TLR8 (0.38) NOS2NPSR1ALOX15MAPTCYP2C9
SCHEMBL12597094 0.86 KCNH2 (0.41) NPSR1KDM4ETDP1TLR8
SCHEMBL27634918 0.84 KCNH2 (0.44) KDM4ELMNATDP1ALDH1A1TLR8
SCHEMBL11310160 0.84 KCNH2 (0.44) KDM4ELMNATDP1ALDH1A1TLR8
SCHEMBL1422106 0.82
SCHEMBL28898640 0.81 NPSR1 (0.38) NOS2GRM5NPSR1ALOX15MAPT
Hydrochloric Acid SCHEMBL3890783 0.79 MAPT (0.41) NOS2NPSR1ALOX15MAPTCYP2C9
SCHEMBL12832394 0.79 ALOX15 (0.36) GRM5NPSR1ALOX15MAPTCYP2C9
SCHEMBL27592765 0.78 KDM4E (0.42) NOS2MAPTKDM4ELMNAALDH1A1
SCHEMBL8666663 0.78 ALOX15 (0.38) NPSR1ALOX15MAPTCYP2C9KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021155317-A1 ASGPR-BINDING COMPOUNDS FOR THE DEGRADATION OF EXTRACELLULAR PROTEINS AVILAR THERAPEUTICS, INC. (US) 2021-08-05 WO disclosed
WO-2018128720-A1 URACIL CONTAINING COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-07-12 WO disclosed
US-20160194303-A1 HETEROCYCLES CAPABLE OF MODULATING T-CELL RESPONSES, AND METHODS OF USING SAME NOGRA PHARMA LIMITED (IE) 2016-07-07 US disclosed
US-20130012492-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2013-01-10 US disclosed
EP-1956022-A1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT Nippon Steel Chemical Co., Ltd. (JP) 2008-08-13 EP 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 (2 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-20160194303-A1 HETEROCYCLES CAPABLE OF MODULATING T-CELL RESPONSES, AND METHODS OF USING SAME ICOS, NFATC1, CD74 NOS2 1286/4885GRM5 3114/4885NPSR1 2314/4885
US-20130012492-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, HCN4, KCNJ4 NOS2 2511/4885GRM5 491/4885NPSR1 1002/4885

“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.