SCHEMBL2404879

SCHEMBL2404879

CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)O)cc2)o1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MITF O75030 2/20 0.72
SMN1; SMN2 Q16637 3/20 0.61
NPC1 O15118 2/20 0.61
TP53 P04637 2/20 0.61
RAB9A P51151 2/20 0.61
KLK7 P49862 1/20 0.51
NR1H4 Q96RI1 3/20 0.51
EPHX2 P34913 1/20 0.51
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
IMPDH2 P12268 1/20 0.47
HPGD P15428 2/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL7717487 0.84 MITF (0.70) MITFSMN1; SMN2NPC1TP53RAB9A
SCHEMBL18161382 0.81 MITF (0.66) MITFSMN1; SMN2NPC1TP53RAB9A
SCHEMBL6816157 0.80 MITF (0.65) MITFSMN1; SMN2NPC1TP53RAB9A
SCHEMBL3225051 0.75 MITF (0.53) MITFNPC1RAB9AMEN1KMT2A
SCHEMBL7297239 0.74 NR1H4 (0.81) MITFSMN1; SMN2NPC1RAB9ANR1H4
SCHEMBL3873116 0.74 NR1H4 (0.81) MITFSMN1; SMN2NPC1RAB9ANR1H4
SCHEMBL12376581 0.74 MITF (0.56) MITFNPC1RAB9AKLK7NR1H4
Hydrochloric Acid SCHEMBL11703876 0.73 MITF (0.51) MITFNPC1RAB9AMEN1KMT2A
SCHEMBL28288421 0.73 MITF (0.51) MITFNPC1RAB9AMEN1KMT2A
SCHEMBL17200783 0.73 KMT2A (0.67) SMN1; SMN2NPC1TP53RAB9AMEN1

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
US-8722730-B2 5-membered heterocyclic compound RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2014-05-13 US disclosed
CN-101821236-B Five-membered heterocyclic compound RES FOUND ITSUU LAB 2013-05-08 CN disclosed
US-20110213156-A1 5-MEMBERED HETEROCYCLIC COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-09-01 US disclosed
CN-101821236-A Five-membered heterocyclic compound RES FOUND ITSUU LAB 2010-09-01 CN disclosed
EP-2189445-A1 FIVE-MEMBERED HETEROCYCLIC COMPOUND Research Foundation Itsuu Laboratory (JP) 2010-05-26 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 (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-20110213156-A1 5-MEMBERED HETEROCYCLIC COMPOUND RXRA, RXRG, RXRB MITF 694/4885SMN1; SMN2 2833/4885NPC1 692/4885

“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.