SCHEMBL629128

SCHEMBL629128

COC(=O)Cc1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)no1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
TP53 P04637 2/20 0.47
LMNA P02545 1/20 0.47
S1PR1 P21453 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
HDAC1 Q13547 3/20 0.43
HDAC2 Q92769 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HDAC8 Q9BY41 2/20 0.42
FFAR1 O14842 1/20 0.42
S1PR3 Q99500 1/20 0.42
PKM P14618 1/20 0.41
XBP1 P17861 1/20 0.41

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
SCHEMBL10029560 0.81 TSHR (0.47) MAPTSMN1; SMN2MEN1KMT2AHPGD
SCHEMBL628828 0.77 F2RL3 (0.38) MAPTTP53LMNAS1PR1SMN1; SMN2
SCHEMBL3756027 0.77 ALDH1A1 (0.58) MAPTSMN1; SMN2HDAC1HDAC2MEN1
SCHEMBL19281404 0.76 TSHR (0.58) MAPTTP53LMNAS1PR1HDAC1
SCHEMBL628021 0.72 PPARG (0.41) LMNAS1PR1MEN1KMT2AHPGD
SCHEMBL1296063 0.71 HSP90AB1 (0.56) MAPTLMNA
SCHEMBL4251653 0.70 MAPT (0.45) MAPTTP53LMNAS1PR1SMN1; SMN2
SCHEMBL15232224 0.70 KMT2A (0.54) LMNASMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL6325330 0.70 FFAR1 (0.50) MAPTTP53LMNASMN1; SMN2MEN1
SCHEMBL1198912 0.69 FFAR1 (0.56) MAPTLMNAS1PR1SMN1; SMN2HDAC1

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-20120077854-A1 COMPOSITIONS AND METHODS FOR MODULATING RETINOL BINDING TO RETINOL BINDING PROTEIN 4 (RBP4) IRM LLC (BM) 2012-03-29 US disclosed
US-20120077854-A1 COMPOSITIONS AND METHODS FOR MODULATING RETINOL BINDING TO RETINOL BINDING PROTEIN 4 (RBP4) IRM LLC (BM) 2012-03-29 US disclosed
EP-2419412-A1 COMPOSITIONS AND METHODS FOR MODULATING RETINOL BINDING TO RETINOL BINDING PROTEIN 4 (RBP4) IRM LLC (BM) 2012-02-22 EP disclosed
WO-2010120741-A1 COMPOSITIONS AND METHODS FOR MODULATING RETINOL BINDING TO RETINOL BINDING PROTEIN 4 (RBP4) IRM LLC (US) 2010-10-21 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-20120077854-A1 COMPOSITIONS AND METHODS FOR MODULATING RETINOL BINDING TO RETINOL BINDING PROTEIN 4 (RBP4) RBP4, RBP1, FABP4 MAPT 3109/4885TP53 2974/4885LMNA 1913/4885

“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.