SCHEMBL852005

SCHEMBL852005

O=C1N=CC1(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.36
BACE2 Q9Y5Z0 4/20 0.36
REN P00797 1/20 0.36
APP P05067 1/20 0.36
CYP2C9 P11712 3/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
BLM P54132 2/20 0.35
PMP22 Q01453 2/20 0.35
LMNA P02545 2/20 0.35
GLA P06280 1/20 0.35
THRB P10828 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
CACNA1F O60840 1/20 0.34
HTR2A P28223 1/20 0.34
HRH1 P35367 1/20 0.34
SCN1A P35498 1/20 0.34
SCN4A P35499 1/20 0.34
CACNA1D Q01668 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
SCHEMBL4797712 0.68 CYP19A1 (0.33) LMNACFTRGOPC
SCHEMBL3641710 0.67 BACE1 (0.33) BACE1BACE2RENAPPCYP2C9
SCHEMBL6595996 0.62 CYP2C9 (0.44) BACE1BACE2CYP2C9KMT2AMEN1
SCHEMBL1119704 0.62 ALDH1A1 (0.39) BACE1BACE2CYP2C9KMT2AMEN1
SCHEMBL7890272 0.62 CYP2C9 (0.39) BACE1BACE2RENAPPCYP2C9
SCHEMBL13934607 0.61 ALDH1A1 (0.44) BACE1BACE2CYP2C9KMT2AMEN1
SCHEMBL15660843 0.60 CYP2C9 (0.42) BACE1BACE2CYP2C9KMT2AMEN1
SCHEMBL4397735 0.59 CFTR (0.34) BACE1BACE2RENAPPCYP2C9
SCHEMBL11836878 0.59 CYP2C9 (0.50) BACE1BACE2CYP2C9KMT2ABLM
SCHEMBL3867838 0.59 CYP2C9 (0.38) BACE1BACE2CYP2C9KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149673-A1 INHIBITORS OF STORE OPERATED CALCIUM RELEASE CALCIMEDICA, INC. (US) 2012-06-14 US disclosed
US-8143269-B2 Inhibitors of store operated calcium release CALCIMEDICA, INC. (US) 2012-03-27 US disclosed
US-20100087415-A1 INHIBITORS OF STORE OPERATED CALCIUM RELEASE CALCIMEDICA, INC. (US) 2010-04-08 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 (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-20120149673-A1 INHIBITORS OF STORE OPERATED CALCIUM RELEASE ORAI1, SARAF, RYR2 BACE1 425/4885BACE2 321/4885REN 3676/4885
US-20100087415-A1 INHIBITORS OF STORE OPERATED CALCIUM RELEASE ORAI1, SARAF, RYR2 BACE1 425/4885BACE2 321/4885REN 3676/4885

“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.