SCHEMBL2390466

SCHEMBL2390466

OC(c1ccccc1)(c1cccs1)c1cccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RGS12 O14924 1/20 0.43
KIF11 P52732 1/20 0.43
CNR1 P21554 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CHRM2 P08172 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
CYP19A1 P11511 1/20 0.38
NR1H2 P55055 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KCNN4 O15554 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL2390819 0.96 RGS12 (0.43) RGS12KIF11CNR1SMN1; SMN2CHRM2
SCHEMBL8542258 0.87 CNR1 (0.44) RGS12KIF11CNR1SMN1; SMN2CHRM2
SCHEMBL12264124 0.85 USP2 (0.46) RGS12KIF11CNR1SMN1; SMN2CYP19A1
SCHEMBL12264149 0.82 KCNN4 (0.47) RGS12KIF11CNR1SMN1; SMN2CHRM2
SCHEMBL11631884 0.81 CYP19A1 (0.51) CNR1CYP19A1CYP1A2CYP2C9CYP2C19
SCHEMBL3906605 0.79 RGS12 (0.44) RGS12KIF11CNR1SMN1; SMN2CHRM2
SCHEMBL8537439 0.77 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1MEN1LMNAGAA
SCHEMBL790785 0.77 RGS12 (0.45) RGS12KIF11CNR1SMN1; SMN2CHRM2
SCHEMBL5964331 0.76 CHRM3 (0.50) RGS12KIF11SMN1; SMN2CHRM2CHRM1
SCHEMBL11284831 0.76 CHRM3 (0.50) RGS12KIF11SMN1; SMN2CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8026263-B2 Methods for inhibiting neoproliferative changes in blood vessel walls THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-09-27 US disclosed
US-8026263-B2 Methods for inhibiting neoproliferative changes in blood vessel walls THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-09-27 US disclosed
US-8026263-B2 Methods for inhibiting neoproliferative changes in blood vessel walls THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-09-27 US disclosed
US-20090048270-A1 Compounds, Methods And Devices for Inhibiting Neoproliferative Changes in Blood Vessel Walls NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-02-19 US disclosed
US-20070293554-A1 Non-peptide inhibition of T-lymphocyte activation and therapies related thereto THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2007-12-20 US disclosed
US-7235577-B1 Non-peptide inhibition of T-lymphocyte activation and therapies related thereto THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-06-26 US disclosed
US-6803375-B1 IMMUNOMODULATION IN A MAMMALIAN PATIENT WITHOUT CAUSING SUBSTANTIAL INHIBITION OF CYTOCHROME P-450 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-10-12 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-20090048270-A1 Compounds, Methods And Devices for Inhibiting Neoproliferative Changes in Blood Vessel Walls PGF, VEGFA, MKI67 RGS12 3961/4885KIF11 2931/4885CNR1 1003/4885
US-20070293554-A1 Non-peptide inhibition of T-lymphocyte activation and therapies related thereto NFATC1, ORAI1, KCNMA1 RGS12 1880/4885KIF11 4687/4885CNR1 1514/4885

“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.