SCHEMBL20199303

SCHEMBL20199303

OC1(c2ccccc2-c2csc3ccccc23)c2ccccc2-c2cccc(Br)c21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.35
APP P05067 2/20 0.35
CYP2C9 P11712 1/20 0.35
PRKDC P78527 1/20 0.35
CYP2A6 P11509 3/20 0.35
MAPT P10636 1/20 0.34
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
ERN1 O75460 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 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
SCHEMBL20174708 0.86 PDK2 (0.46) PDK2APPCYP2C9PRKDCCYP2A6
SCHEMBL20174698 0.80 PDK2 (0.47) PDK2APPCYP2C9PRKDCCYP2A6
SCHEMBL20174709 0.77 CYP2A6 (0.42) APPCYP2C9PRKDCCYP2A6MAPT
SCHEMBL15213615 0.74 ALDH1A1 (0.48) PDK2MAPT
SCHEMBL20175214 0.74 PDK2 (0.41) PDK2APPCYP2C9CYP2A6MAPT
SCHEMBL30217950 0.72 PDK2 (0.42) PDK2
SCHEMBL27748647 0.72 PDK2 (0.42) PDK2
SCHEMBL23366446 0.71 DUSP3 (0.41) PDK2MAPTHDAC6
SCHEMBL4381193 0.71 CYP2A6 (0.54) APPCYP2C9CYP2A6MAPTCHRM2
SCHEMBL28751583 0.70 PDK2 (0.40) PDK2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180148639-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-31 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-20180148639-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG PDK2 651/4885APP 2417/4885CYP2C9 340/4885

“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.