SCHEMBL425175

SCHEMBL425175

CCCCSc1nc2ccccc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 1.00
NPC1 O15118 4/20 1.00
BCHE P06276 1/20 0.75
ALDH1A1 P00352 2/20 0.71
AR P10275 3/20 0.68
EPHX2 P34913 1/20 0.67
SMN1; SMN2 Q16637 6/20 0.66
POLB P06746 1/20 0.66
LMNA P02545 5/20 0.65
KMT2A Q03164 3/20 0.63
MAPT P10636 3/20 0.63
HTT P42858 2/20 0.63
CYP1A2 P05177 1/20 0.62
CYP2E1 P05181 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2C8 P10632 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2B6 P20813 1/20 0.62
CYP2C19 P33261 1/20 0.62

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
SCHEMBL2948524 0.95 RAB9A (0.91) RAB9ANPC1BCHEALDH1A1AR
SCHEMBL21639229 0.94 NPC1 (0.88) RAB9ANPC1BCHEALDH1A1AR
SCHEMBL9729274 0.94 NPC1 (0.88) RAB9ANPC1BCHEALDH1A1AR
SCHEMBL11535096 0.94 NPC1 (0.88) RAB9ANPC1BCHEALDH1A1AR
SCHEMBL8098342 0.90 RAB9A (0.82) RAB9ANPC1BCHEALDH1A1AR
SCHEMBL14304932 0.90 BCHE (0.86) RAB9ANPC1BCHEALDH1A1AR
SCHEMBL14303261 0.88 BCHE (0.83) RAB9ANPC1BCHEALDH1A1AR
SCHEMBL6141660 0.88 BCHE (0.83) RAB9ANPC1BCHEALDH1A1AR
SCHEMBL14303260 0.88 BCHE (0.83) RAB9ANPC1BCHEALDH1A1AR
SCHEMBL14304381 0.88 BCHE (0.83) RAB9ANPC1BCHEALDH1A1AR

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-06-19 US disclosed
US-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-06-19 US disclosed
US-20180000793-A1 Inhibiting Germination of Clostridium Perfringens Spores to Reduce Necrotic Enteritis ABEL-SANTOS ERNESTO (US) 2018-01-04 US disclosed
US-20170166524-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-06-15 US disclosed
US-20170166524-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-06-15 US disclosed
US-9611214-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-04-04 US disclosed
US-9611214-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-04-04 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-5874501-A POLY(P-HYDROXYSTYRENE) WITH AROMATIC MOIETY AND ALIPHATIC MOIETY WITH INORGANIC OXIDE KEEHAN DONALD J (US) 1999-02-23 US disclosed
EP-0407554-B1 METALLIC OXIDE-OXIRANE POLYMERS AND PREPOLYMERS KEEHAN DONALD J (US) 1997-09-17 EP disclosed
WO-1997031047-A1 MULTI-FUNCTIONAL OXIRANE POLYMERS KEEHAN DONALD J (US) 1997-08-28 WO disclosed
US-5658996-A A LIQUID POLYEPOXIDE PREPOLYMER THE REACTION PRODUCT OF A TRISHYDROXYPHENYL, AN AROMATIC DIGLYCIDYL ETHER AND METAL OXIDE; CURABLE, LOW VISCOSITY; FORMED POLYEPOXIDE IS HEAT AND CHEMICAL RESISTANCE, ELONGATION, TOUGHNESS KEEHAN DONALD J (US) 1997-08-19 US disclosed
US-5169912-A Hydrolyzable oxygen bonding with epoxide; silica, titania; high performance coatings, adhesives KEEHAN DONALD J (US) 1992-12-08 US disclosed
EP-0407554-A4 METALLIC OXIDE-OXIRANE POLYMERS AND PREPOLYMERS 1992-10-21 EP disclosed
US-5026816-A Reaction product of diglycidyl ether of (bisphenol a or resorcinol) with metallic oxide in presence of imidazole catalyst KEEHAN DONALD J (US) 1991-06-25 US disclosed
EP-0407554-A1 METALLIC OXIDE-OXIRANE POLYMERS AND PREPOLYMERS. KEEHAN DONALD J (US) 1991-01-16 EP disclosed
WO-1990008168-A1 METALLIC OXIDE-OXIRANE POLYMERS AND PREPOLYMERS KEEHAN DONALD J (US) 1990-07-26 WO disclosed
US-4880892-A PHOSPHONIUM OR PHOSPHORANE CATALYST, PROTECTIVE COATINGS CIBA-GEIGY CORPORATION (US) 1989-11-14 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 RAB9A 4497/4885NPC1 1750/4885BCHE 2871/4885
US-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors SLC6A2, TPH1, SLC6A3 RAB9A 503/4885NPC1 701/4885BCHE 1380/4885
US-20170166524-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 RAB9A 503/4885NPC1 701/4885BCHE 1380/4885
US-20190209531-A1 Inhibiting Germination of Clostridium Perfringens Spores to Reduce Necrotic Enteritis CASP3, SI, PYCARD RAB9A 4497/4885NPC1 1750/4885BCHE 2871/4885
US-20180000793-A1 Inhibiting Germination of Clostridium Perfringens Spores to Reduce Necrotic Enteritis CASP3, SI, PYCARD RAB9A 4497/4885NPC1 1750/4885BCHE 2871/4885

“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.