SCHEMBL6326241

SCHEMBL6326241

CCc1c(OCc2ccccc2)c(=O)ccn1C

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MEN1 O00255 2/20 0.55
ALDH1A1 P00352 2/20 0.55
KMT2A Q03164 2/20 0.55
HPGD P15428 2/20 0.55
NPC1 O15118 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
LMNA P02545 2/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
MAPK14 Q16539 3/20 0.43
PKM P14618 1/20 0.41
MAOB P27338 1/20 0.39
GSTP1 P09211 1/20 0.38

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
SCHEMBL30887389 0.85 HTT (0.58) HTTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL16939046 0.84 HTT (0.60) HTTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL29076824 0.84 HTT (0.53) HTTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL30887393 0.83 HTT (0.71) HTTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL8663227 0.82 HTT (0.55) HTTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL17128942 0.82 SMN1; SMN2 (0.55) HTTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL10561186 0.82 HTT (0.69) HTTSMN1; SMN2MEN1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL8662185 0.81 HTT (0.54) HTTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL30983025 0.80 HTT (0.53) HTTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL9700018 0.80 HTT (0.53) HTTSMN1; SMN2MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050288187-A1 Inhibitor development for 4-hydroxyphenylpyruvate dioxygenase, employing tyrosinemia 1 as a model for human diseases mediated by 2-oxoacid utilizing dioxygenases ROCKEFELLER UNIVERSITY, THE 2005-12-29 US disclosed
US-6080766-A ADMINISTERING TO A PATIENT AN EFFECTIVE AMOUNT OF A HYDROXYPYRROLIDONE COMPOUND TO SUPPRESS THE FORMATION OF COLLAGEN-LIKE SUBSTANCES OR BIOSYNTHESIS OF PROCOLLAGEN CORNELL RESEARCH FOUNDATION, INC. (US) 2000-06-27 US disclosed
US-6046219-A ADMINISTERING TO THE PATIENT FOR TREATING THE CONDITIONS MEDIATED BY COLLAGEN FORMATION TOGETHER WITH CELL PROLIFERATION A HYDROXYPYRIDINE DERIVATIVE CORNELL RESEARCH FOUNDATION, INC. (US) 2000-04-04 US disclosed
US-5965585-A SUPPRESSING FORMATION OF COLLAGEN AND COLLAGEN-LIKE SUBSTANCES OR BIOSYNTHESIS OF PROCOLLAGEN IN LIVING SYSTEMS BY ADMINISTERING A HYDROXYPYRIDONE COMPOUND ENZYME INHIBITOR OF PROTEIN HYDROXYLASE; ANTISCARRING AGENTS CORNELL RESEARCH FOUNDATION, INC. (US) 1999-10-12 US disclosed
US-5965586-A Method for the treatment of fibroproliferative disorders by application of inhibitors of protein hydroxylation CORNELL RESEARCH FOUNDATION, INC. (US) 1999-10-12 US disclosed
US-5849587-A Method of inhibiting viral replication in eukaryotic cells and of inducing apoptosis of virally-infected cells CORNELL RESEARCH FOUNDATION, INC. (US) 1998-12-15 US disclosed
US-5789426-A SUPPRESSION FORMATION OF COLLAGEN CORNELL RESEARCH FOUNDATION, INC. (US) 1998-08-04 US disclosed
US-4908371-A Pharmaceuticals CIBA-GEIGY CORPORATION (US) 1990-03-13 US disclosed
EP-0316279-A2 Ester derivatives of azacyclic hydroxycompounds CIBA-GEIGY AG (CH) 1989-05-17 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-20050288187-A1 Inhibitor development for 4-hydroxyphenylpyruvate dioxygenase, employing tyrosinemia 1 as a model for human diseases mediated by 2-oxoacid utilizing dioxygenases HPD, TH, PDXK HTT 1095/4885SMN1; SMN2 3995/4885MEN1 3574/4885

“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.