SCHEMBL1534401

SCHEMBL1534401

O=C1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.51
USP2 O75604 9/20 0.48
CYP2C9 P11712 7/20 0.48
TSHR P16473 7/20 0.47
CYP3A4 P08684 7/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP2D6 P10635 4/20 0.47
CYP2C19 P33261 2/20 0.47
HSD17B10 Q99714 2/20 0.47
CYP1A2 P05177 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
MGLL Q99685 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
RHOC P08134 1/20 0.44
RHOA P61586 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
SCHEMBL12959477 0.91 HIF1A (0.46) HIF1AUSP2CYP2C9TSHRCYP3A4
SCHEMBL1534297 0.82 HIF1A (0.58) HIF1AUSP2CYP2C9TSHRCYP3A4
SCHEMBL12803049 0.75 HIF1A (0.55) HIF1AUSP2CYP2C9TSHRCYP3A4
SCHEMBL9971982 0.75 POLB (0.61) SMN1; SMN2ALDH1A1MGLLLMNAPOLB
SCHEMBL1534279 0.74 HIF1A (0.50) HIF1AUSP2CYP2C9TSHRCYP3A4
SCHEMBL12959478 0.73 HIF1A (0.52) HIF1AUSP2CYP2C9TSHRCYP3A4
SCHEMBL430127 0.73 HIF1A (0.52) HIF1AUSP2CYP2C9TSHRCYP3A4
SCHEMBL30691979 0.73 HIF1A (0.58) HIF1AUSP2CYP2C9TSHRCYP3A4
SCHEMBL5562592 0.71 HIF1A (0.56) HIF1AUSP2CYP2C9TSHRCYP3A4
SCHEMBL1534319 0.70 RHOC (0.60) HIF1AUSP2CYP2C9TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120252792-A1 METHODS AND COMPOSITIONS FOR MODULATING RHO-MEDIATED GENE TRANSCRIPTION THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-10-04 US disclosed
US-20120252792-A1 METHODS AND COMPOSITIONS FOR MODULATING RHO-MEDIATED GENE TRANSCRIPTION THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-10-04 US disclosed
WO-2011035143-A2 METHODS AND COMPOSITIONS FOR INHIBITING RHO-MEDIATED DISEASES AND CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-03-24 WO disclosed
WO-2011035143-A2 METHODS AND COMPOSITIONS FOR INHIBITING RHO-MEDIATED DISEASES AND CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-03-24 WO 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-20120252792-A1 METHODS AND COMPOSITIONS FOR MODULATING RHO-MEDIATED GENE TRANSCRIPTION RHOA, RHOC, ROCK1 HIF1A 751/4885USP2 2542/4885CYP2C9 4809/4885

“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.