SCHEMBL3948639

SCHEMBL3948639

CC(C)CNc1nc2ccccc2o1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 6/20 0.54
RAB9A P51151 10/20 0.51
NPC1 O15118 9/20 0.51
SMN1; SMN2 Q16637 6/20 0.51
PKM P14618 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
GAA P10253 2/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 3/20 0.49
TP53 P04637 2/20 0.46
LMNA P02545 1/20 0.46
ALOX15 P16050 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HSP90AA1 P07900 1/20 0.43
ACP1 P24666 1/20 0.43

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
SCHEMBL11451768 0.81 ELANE (0.61) PCSK9RAB9ANPC1SMN1; SMN2PKM
SCHEMBL2541597 0.80 NPC1 (0.53) PCSK9RAB9ANPC1SMN1; SMN2PKM
SCHEMBL19935958 0.80 LATS1 (0.47) PCSK9RAB9ANPC1ALDH1A1TP53
SCHEMBL18013087 0.78 ELANE (0.63) PCSK9RAB9ANPC1SMN1; SMN2PKM
SCHEMBL3953148 0.77 ELANE (0.61) PCSK9RAB9ANPC1SMN1; SMN2PKM
SCHEMBL5021496 0.77 PCSK9 (0.59) PCSK9RAB9ANPC1SMN1; SMN2PKM
SCHEMBL4816936 0.77 NPC1 (0.51) PCSK9RAB9ANPC1SMN1; SMN2PKM
SCHEMBL7540148 0.75 NPC1 (0.50) PCSK9RAB9ANPC1SMN1; SMN2PKM
SCHEMBL18013092 0.75 ELANE (0.65) PCSK9RAB9ANPC1SMN1; SMN2PKM
SCHEMBL18013093 0.75 ELANE (0.65) PCSK9RAB9ANPC1SMN1; SMN2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210228550-A1 Inhibiting Germination of Clostridium Perfringens Spores to Reduce Necrotic Enteritis THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2021-07-29 US disclosed
US-10945996-B2 Inhibiting germination of clostridium perfringens spores to reduce necrotic enteritis THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS (US) 2021-03-16 US disclosed
US-20190209531-A1 Inhibiting Germination of Clostridium Perfringens Spores to Reduce Necrotic Enteritis THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2019-07-11 US disclosed
US-20180000793-A1 Inhibiting Germination of Clostridium Perfringens Spores to Reduce Necrotic Enteritis ABEL-SANTOS ERNESTO (US) 2018-01-04 US disclosed
WO-2016127102-A2 INHIBITING GERMINATION OF CLOSTRIDIUM PERFRINGENS SPORES TO REDUCE NECROTIC ENTERITIS ABEL-SANTOS ERNESTO (US) 2016-08-11 WO disclosed
US-7897622-B2 2-amido-5-oxo/thio-benzoic acid derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-01 US disclosed
WO-2009029617-A1 DIARYLAMINE-SUBSTITUTED QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2009-03-05 WO disclosed
US-20080045516-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 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 (5 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-10945996-B2 Inhibiting germination of clostridium perfringens spores to reduce necrotic enteritis CASP3, SI, PYCARD PCSK9 667/4885RAB9A 4497/4885NPC1 1750/4885
US-20190209531-A1 Inhibiting Germination of Clostridium Perfringens Spores to Reduce Necrotic Enteritis CASP3, SI, PYCARD PCSK9 667/4885RAB9A 4497/4885NPC1 1750/4885
US-20210228550-A1 Inhibiting Germination of Clostridium Perfringens Spores to Reduce Necrotic Enteritis CASP3, SI, PYCARD PCSK9 667/4885RAB9A 4497/4885NPC1 1750/4885
US-20180000793-A1 Inhibiting Germination of Clostridium Perfringens Spores to Reduce Necrotic Enteritis CASP3, SI, PYCARD PCSK9 667/4885RAB9A 4497/4885NPC1 1750/4885
US-20080045516-A1 Viral Polymerase Inhibitors POLR2A, POLR2H, POLR2E PCSK9 1451/4885RAB9A 1527/4885NPC1 1299/4885

“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.