SCHEMBL18325841

SCHEMBL18325841

O=C(c1ccc(Br)s1)N1CCC(F)(F)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.69
POLB P06746 1/20 0.69
RECQL P46063 1/20 0.55
HSD17B10 Q99714 1/20 0.55
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
HTR1A P08908 1/20 0.52
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 4/20 0.48
HTT P42858 2/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
TSHR P16473 1/20 0.45
GSK3B P49841 2/20 0.45
DAO P14920 1/20 0.44
TGM2 P21980 1/20 0.41
TGM1 P22735 1/20 0.41
L3MBTL3 Q96JM7 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
SCHEMBL3204586 0.82 HPGD (0.93) HPGDPOLBRECQLHSD17B10NPC1
SCHEMBL3184163 0.82 HPGD (1.00) HPGDPOLBRECQLHSD17B10NPC1
SCHEMBL16379989 0.81 HPGD (0.44) HPGDPOLBRECQLHSD17B10NPC1
SCHEMBL3196789 0.80 HPGD (0.96) HPGDPOLBRECQLHSD17B10NPC1
SCHEMBL2203217 0.79 HDAC6 (0.52) HPGDPOLBALDH1A1L3MBTL3L3MBTL1
SCHEMBL27506961 0.78 HPGD (0.73) HPGDPOLBRECQLHSD17B10NPC1
SCHEMBL3157121 0.78 HPGD (0.77) HPGDPOLBRECQLHSD17B10NPC1
Ethylene SCHEMBL8382054 0.75 HPGD (0.69) HPGDPOLBRECQLHSD17B10NPC1
SCHEMBL4021435 0.74 HPGD (0.67) HPGDPOLBRECQLHSD17B10NPC1
SCHEMBL2207893 0.72 HPGD (0.66) HPGDPOLBALDH1A1LMNAL3MBTL3

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-9856241-B2 Substituted benzofuranyl and benzoxazolyl compounds and uses thereof Karyopharm Therapeutics Inc. (US) 2018-01-02 US disclosed
US-20160368904-A1 SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. 2016-12-22 US disclosed
US-20160368904-A1 SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. 2016-12-22 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 (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-20160368904-A1 SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF BCL6, MALT1, BTK HPGD 2138/4885POLB 4007/4885RECQL 4591/4885

“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.