SCHEMBL3832302

SCHEMBL3832302

C[C@@]1(c2ccc(Cl)cc2)C(=O)N(C(=O)O)[C@H]1c1ccc(Br)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
ITGB2 P05107 3/20 0.32
ICAM1 P05362 3/20 0.32
ITGAL P20701 3/20 0.32
SORT1 Q99523 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.31
CNR1 P21554 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
TP53 P04637 2/20 0.30
MDM2 Q00987 2/20 0.30

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
SCHEMBL3832297 1.00 NPC1 (0.38) NPC1RAB9AMEN1KMT2AITGB2
SCHEMBL3833362 0.82 MEN1 (0.39) MEN1KMT2ARXFP1CNR1TP53
SCHEMBL3833365 0.82 MEN1 (0.39) MEN1KMT2ARXFP1CNR1TP53
SCHEMBL3830291 0.77 TP53 (0.36) KDM4EL3MBTL1MAPTTP53MDM2
SCHEMBL3830287 0.77 TP53 (0.36) KDM4EL3MBTL1MAPTTP53MDM2
SCHEMBL3828319 0.75 HSD11B1 (0.49) MEN1KMT2AALDH1A1MAPTTP53
SCHEMBL3828314 0.75 HSD11B1 (0.49) MEN1KMT2AALDH1A1MAPTTP53
SCHEMBL3832815 0.72 GSK3A (0.38) NPC1RAB9AMEN1KMT2ACNR1
SCHEMBL3832816 0.72 GSK3A (0.38) NPC1RAB9AMEN1KMT2ACNR1
SCHEMBL3833465 0.68 NPC1 (0.37) NPC1RAB9AMEN1KMT2ARXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312310-A1 Imidazothiazole derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-12-17 US disclosed
EP-2103619-A1 IMIDAZOTHIAZOLE DERIVATIVES Daiichi Sankyo Company, Limited (JP) 2009-09-23 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-20090312310-A1 Imidazothiazole derivatives TP53, MDM2, TP53BP1 NPC1 4744/4885RAB9A 3326/4885MEN1 2718/4885

“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.