SCHEMBL4448945

SCHEMBL4448945

C[C@H](Nc1cccc(Cl)c1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.54
ALOX15 P16050 1/20 0.54
MAPT P10636 5/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
LMNA P02545 3/20 0.53
ALDH1A1 P00352 3/20 0.53
HTT P42858 2/20 0.53
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
MAPK1 P28482 2/20 0.52
SMN1; SMN2 Q16637 4/20 0.49
TP53 P04637 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
POLB P06746 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
FADS1 O60427 1/20 0.46
GAA P10253 1/20 0.45

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
SCHEMBL4448947 1.00 HPGD (0.54) HPGDALOX15MAPTMEN1KMT2A
Methane SCHEMBL8701106 0.98 HPGD (0.53) HPGDALOX15MAPTMEN1KMT2A
SCHEMBL29564585 0.85 HPGD (0.53) HPGDALOX15MAPTMEN1KMT2A
SCHEMBL14691489 0.83 HPGD (0.55) HPGDALOX15MAPTMEN1KMT2A
SCHEMBL11206072 0.83 CTSL (0.54) HPGDALOX15MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL29564409 0.83 HPGD (0.51) HPGDALOX15MAPTMEN1KMT2A
SCHEMBL8745474 0.83 HPGD (0.55) HPGDALOX15MAPTMEN1KMT2A
SCHEMBL11206076 0.83 CTSL (0.54) HPGDALOX15MAPTMEN1KMT2A
SCHEMBL11182616 0.82 MEN1 (0.56) HPGDALOX15MAPTMEN1KMT2A
SCHEMBL6707517 0.82 ALDH1A1 (0.43) MAPTMEN1KMT2AALDH1A1RAB9A

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-9862837-B2 Antifouling materials YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD (IL) 2018-01-09 US disclosed
US-20160376449-A1 ANTIFOULING MATERIALS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD (IL) 2016-12-29 US disclosed
US-20090023661-A1 Use of Antagonists of the Bradykinin B2 Receptor for the Treatment of Osteoarthrosis AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2009-01-22 US disclosed
US-20040248809-A1 Use of antagonists of the bradykinin B2 receptor for the treatment of osteoarthrosis AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-12-09 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 (3 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-20040248809-A1 Use of antagonists of the bradykinin B2 receptor for the treatment of osteoarthrosis BDKRB2, BDKRB1, PLAT HPGD 132/4885ALOX15 1932/4885MAPT 3179/4885
US-20160376449-A1 ANTIFOULING MATERIALS PFAS, FLNB, FLNA HPGD 3634/4885ALOX15 1153/4885MAPT 4276/4885
US-20090023661-A1 Use of Antagonists of the Bradykinin B2 Receptor for the Treatment of Osteoarthrosis BDKRB2, BDKRB1, PLAT HPGD 140/4885ALOX15 1920/4885MAPT 2965/4885

“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.