SCHEMBL3462091

SCHEMBL3462091

CC1(C)CCc2c(C(=O)O)nn(Cc3cccnc3)c2C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
EP300 Q09472 1/20 0.40
CREBBP Q92793 1/20 0.40
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
AURKA O14965 1/20 0.38
LCK P06239 1/20 0.38
ITK Q08881 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
P2RX7 Q99572 1/20 0.37
MARS1 P56192 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CHRM2 P08172 1/20 0.37
NAPRT Q6XQN6 1/20 0.36
SLC16A3 O15427 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
SCHEMBL2471625 0.89 ITK (0.43) POLBAURKALCKITKALDH1A1
SCHEMBL2472715 0.87 GABRA1 (0.46) BRD4EP300CREBBPKDM4EPOLB
SCHEMBL2469013 0.77 CYP19A1 (0.48) KDM4EPOLBLMNAHSD17B10ALDH1A1
SCHEMBL19320959 0.73 HDAC1 (0.39) AURKAITKLMNAALDH1A1
SCHEMBL19325839 0.73 HDAC1 (0.36) BRD4EP300CREBBPPOLBAURKA
SCHEMBL2470566 0.72 CREBBP (0.38) BRD4EP300CREBBP
SCHEMBL2530347 0.72 CCNA2 (0.34) BRD4CREBBPAURKALMNA
SCHEMBL2474835 0.71 S1PR1 (0.40) BRD4EP300CREBBPLMNAALDH1A1
SCHEMBL182893 0.69 FABP4 (0.49) POLBLMNA
SCHEMBL38653833 0.69 CCNA2 (0.41) BRD4EP300CREBBPKDM4EAURKA

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-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 US disclosed
US-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 US disclosed
US-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 US disclosed
WO-2010072352-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2010-07-01 WO disclosed
EP-2202232-A1 1,2,4-oxadiazole derivatives and their therapeutic use Laboratorios Almirall, S.A. (ES) 2010-06-30 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-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE S1PR1, S1PR2, S1PR3 BRD4 1756/4885EP300 1421/4885CREBBP 1338/4885

“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.