SCHEMBL21026342

SCHEMBL21026342

O=C(NCCNC1CCCC1)c1ccc(Br)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
CXCR4 P61073 1/20 0.46
PPARD Q03181 1/20 0.44
NPC1 O15118 6/20 0.44
RAB9A P51151 6/20 0.44
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
TP53 P04637 1/20 0.43
DGAT1 O75907 1/20 0.43
MAPT P10636 1/20 0.43
USP5 P45974 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
MAP2K1 Q02750 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
SCHEMBL26838419 0.85 TMEM97 (0.59) TMEM97SIGMAR1PPARDNPC1RAB9A
SCHEMBL3343582 0.84 NPC1 (0.55) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL506741 0.82 NPC1 (0.57) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL16935503 0.81 RAB9A (0.51) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL2921979 0.78 TMEM97 (0.56) TMEM97SIGMAR1PPARDNPC1RAB9A
SCHEMBL17678081 0.78 EPHX2 (0.59) TMEM97SIGMAR1LMNAALDH1A1
SCHEMBL3343302 0.78 HPGD (0.55) TMEM97SIGMAR1NPC1RAB9ALMNA
SCHEMBL4510569 0.78 TMEM97 (0.58) TMEM97SIGMAR1PPARDNPC1RAB9A
SCHEMBL5630504 0.77 MAP2K1 (0.57) TMEM97SIGMAR1PPARDNPC1RAB9A
SCHEMBL582871 0.76 TMEM97 (0.57) TMEM97SIGMAR1PPARDNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2019-05-23 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-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES HPSE, GAA, MAN2B1 TMEM97 1005/4885SIGMAR1 3139/4885CXCR4 4085/4885

“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.