SCHEMBL4386601

SCHEMBL4386601

O=C(Cc1c(Br)c(O)cc(O)c1-c1ccccc1)N1CCN(C(=O)c2ccco2)CC1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 15/20 0.62
TSHR P16473 4/20 0.52
LMNA P02545 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
KMT2A Q03164 3/20 0.52
POLB P06746 3/20 0.51
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GAA P10253 1/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL4384152 0.83 ALDH1A1 (0.58) ALDH1A1TSHRLMNASMN1; SMN2KMT2A
SCHEMBL4379702 0.81 EGFR (0.44) ALDH1A1TSHRLMNAKMT2AGAA
SCHEMBL4386467 0.81 MAPT (0.55) ALDH1A1SMN1; SMN2KMT2AL3MBTL1MAPT
SCHEMBL4386243 0.81 MAPK1 (0.44) TSHRLMNASMN1; SMN2KMT2APOLB
SCHEMBL4384593 0.81 KMT2A (0.51) ALDH1A1LMNASMN1; SMN2KMT2APOLB
SCHEMBL4386854 0.79 TACR3 (0.52) ALDH1A1KMT2APOLBTP53MAPT
SCHEMBL4384011 0.76 ALDH1A1 (0.62) ALDH1A1LMNAKMT2ATDP1HPGD
SCHEMBL4393970 0.76 ALDH1A1 (0.42) ALDH1A1TSHRNPSR1SMN1; SMN2KMT2A
SCHEMBL4394430 0.74 ALDH1A1 (0.46) ALDH1A1KMT2ATDP1L3MBTL1GAA
SCHEMBL6025387 0.74 RAB9A (0.55) ALDH1A1TSHRLMNANPSR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538241-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
US-20070155813-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-07-05 US disclosed
EP-1704856-A1 HSP90 FAMILY PROTEIN INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-09-27 EP 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-20070155813-A1 Hsp90 family protein inhibitors HSP90AB1, HEATR1, HSP90AB2P ALDH1A1 3520/4885TSHR 487/4885LMNA 4706/4885

“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.