SCHEMBL13742016

SCHEMBL13742016

CC(C)[C@H](Br)C(=O)Nc1c(C(N)=O)oc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
TEAD1 P28347 1/20 0.57
YAP1 P46937 1/20 0.57
TEAD4 Q15561 1/20 0.57
TEAD2 Q15562 1/20 0.57
TSHR P16473 6/20 0.54
MAPK10 P53779 5/20 0.54
HSD17B10 Q99714 5/20 0.54
MAPT P10636 4/20 0.54
TP53 P04637 3/20 0.54
AHR P35869 1/20 0.54
KDM4E B2RXH2 5/20 0.53
HPGD P15428 4/20 0.53
POLB P06746 2/20 0.53
HTT P42858 1/20 0.53
PKM P14618 1/20 0.53
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
LMNA P02545 2/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL13981698 0.85 ALDH1A1 (0.59) ALDH1A1TEAD1YAP1TEAD4TEAD2
SCHEMBL1852593 0.84 KMT2A (0.53) ALDH1A1TEAD1YAP1TEAD4TEAD2
SCHEMBL20659868 0.79 TSHR (0.69) ALDH1A1TEAD1YAP1TEAD4TEAD2
SCHEMBL13741944 0.79 ALDH1A1 (0.52) ALDH1A1TEAD1YAP1TEAD4TEAD2
SCHEMBL4099007 0.78 TEAD1 (0.70) ALDH1A1TEAD1YAP1TEAD4TEAD2
SCHEMBL4102870 0.77 ALDH1A1 (0.53) ALDH1A1TEAD1YAP1TEAD4TEAD2
SCHEMBL13741955 0.76 ALDH1A1 (0.49) ALDH1A1TEAD1YAP1TEAD4TEAD2
SCHEMBL20659877 0.76 TEAD1 (0.75) ALDH1A1TEAD1YAP1TEAD4TEAD2
SCHEMBL13787069 0.75 ALDH1A1 (0.46) ALDH1A1TSHRHSD17B10MAPTTP53
SCHEMBL3118545 0.74 ALDH1A1 (1.00) ALDH1A1TEAD1YAP1TEAD4TEAD2

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-20090214529-A9 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2009-08-27 US disclosed
US-20090214529-A9 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2009-08-27 US disclosed
US-20080292626-A1 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-11-27 US disclosed
US-20080292626-A1 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-11-27 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-20090214529-A9 KINESIN INHIBITORS KIF5B, KIF5A, KIF5C ALDH1A1 1978/4885TEAD1 1557/4885YAP1 3950/4885
US-20080292626-A1 KINESIN INHIBITORS KIF5B, KIF5A, KIF5C ALDH1A1 1978/4885TEAD1 1557/4885YAP1 3950/4885

“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.