SCHEMBL3472833

SCHEMBL3472833

COc1cccc(CCNC(=O)c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
RXRA P19793 2/20 0.49
NR1H2 P55055 2/20 0.49
NR1H3 Q13133 2/20 0.49
POLB P06746 3/20 0.49
RAB9A P51151 1/20 0.49
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
SLC16A3 O15427 2/20 0.46
EGLN2 Q96KS0 1/20 0.45
DRD4 P21917 1/20 0.45
GCGR P47871 1/20 0.45
TRPV1 Q8NER1 1/20 0.44
ROCK2 O75116 1/20 0.44

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
SCHEMBL14623687 0.94 CA1 (0.49) MAPTSMN1; SMN2CA1CA2CA7
SCHEMBL3471649 0.92 POLB (0.54) MAPTSMN1; SMN2RXRANR1H2NR1H3
SCHEMBL3474283 0.92 SMN1; SMN2 (0.49) MAPTSMN1; SMN2RXRANR1H2NR1H3
SCHEMBL2256701 0.87 CARM1 (0.53) SMN1; SMN2CA1CA2CA7CA9
SCHEMBL14623690 0.86 SMN1; SMN2 (0.49) MAPTSMN1; SMN2POLBRAB9AKDM4E
SCHEMBL3473854 0.85 RXRA (0.54) MAPTSMN1; SMN2RXRANR1H2NR1H3
SCHEMBL3472452 0.85 MAPT (0.49) MAPTSMN1; SMN2RXRANR1H2NR1H3
SCHEMBL3473656 0.84 MAPT (0.64) MAPTSMN1; SMN2RXRANR1H2NR1H3
SCHEMBL3473769 0.84 RXRA (0.52) MAPTSMN1; SMN2RXRANR1H2NR1H3
SCHEMBL3472234 0.84 ALDH1A1 (0.59) MAPTSMN1; SMN2RXRANR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 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-20100331295-A1 MODULATORS OF LXR NR1H2, NR1H3, NR1H4 MAPT 4737/4885SMN1; SMN2 4666/4885CA1 4453/4885

“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.