SCHEMBL533190

SCHEMBL533190

Clc1cccc(-c2cc[c]cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.53
ALOX5 P09917 1/20 0.50
MAOB P27338 2/20 0.48
ESR2 Q92731 1/20 0.46
PGR P06401 2/20 0.42
NOTUM Q6P988 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
BACE1 P56817 1/20 0.41
IDO1 P14902 4/20 0.40
TDP2 O95551 1/20 0.40

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
Water SCHEMBL11024520 0.83 TAAR1 (0.59) TAAR1ALOX5MAOBESR2PGR
SCHEMBL11973522 0.83 MEN1 (0.48) TAAR1ALOX5ESR2
SCHEMBL31491189 0.83 TAAR1 (0.71) TAAR1ALOX5MAOBESR2PGR
SCHEMBL16394285 0.83 TAAR1 (0.71) TAAR1ALOX5MAOBESR2PGR
SCHEMBL31222672 0.83 ALOX5 (0.65) TAAR1ALOX5MAOBESR2PGR
SCHEMBL817554 0.83 ALOX5 (0.65) TAAR1ALOX5MAOBESR2PGR
SCHEMBL29788033 0.80 TAAR1 (0.61) TAAR1ALOX5MAOBESR2PGR
SCHEMBL20669453 0.80 TAAR1 (0.68) TAAR1ALOX5MAOBESR2PGR
SCHEMBL170231 0.80 TAAR1 (0.61) TAAR1ALOX5MAOBESR2PGR
Hydrochloric Acid SCHEMBL31070804 0.80 ALOX5 (0.62) TAAR1ALOX5MAOBESR2NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117396465-A Novel oxazole derivative for preventing or treating allergic diseases and pharmaceutical composition containing the same 阿斯克里斯有限公司 2024-01-12 CN claimed
US-20180327401-A1 IMIDAZOLIN-5-ONE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2018-11-15 US claimed
US-10077261-B2 Imidazolin-5-one derivative useful as FASN inhibitors for the treatment of cancer JANSSEN PHARMACEUTICA NV (BE) 2018-09-18 US claimed
US-10076517-B2 Methods and pharmaceutical compositions for the treatment of fibrosis INSERM (INSTITUT NATIONAL DE LA SANTÉ ET DE KA RECHERCHE MÉDICALE (FR) 2018-09-18 US claimed
EP-2892892-B1 IMIDAZOLIN-5-ONE DERIVATIVES USEFUL AS FATTY ACID SYNTHASE (FASN) INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2017-05-31 EP claimed
WO-2017078927-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2017-05-11 WO claimed
EP-3116851-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING Salk Institute for Biological Studies (US) 2017-01-18 EP claimed
EP-2415763-B1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA UBE INDUSTRIES (JP) 2016-01-27 EP claimed
US-20160002219-A1 IMIDAZOLIN-5-ONE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2016-01-07 US claimed
WO-2015138969-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2015-09-17 WO claimed
EP-1212300-B1 AZACYCLOALKANONE SERINE PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 2003-11-05 EP claimed
US-20030109517-A1 Azacycloalkanone serine protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-06-12 US claimed
US-6469029-B1 INHIBITORS OF THROMBIN PRODUCTION VIA FACTOR XA INHIBITION; COUPLED TO MEDICAL DEVICES, SUCH AS STENTS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-10-22 US claimed
CN-1373755-A Azacycloalkanone serine protease inhibitors DIMENSIONAL PHARM INC (US) 2002-10-09 CN claimed
EP-1212300-A1 AZACYCLOALKANONE SERINE PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2002-06-12 EP claimed
EP-0821665-B1 CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHASE AND PROTEIN FARNESYLTRANSFERASE ABBOTT LAB (US) 2001-10-04 EP claimed
WO-2001019795-A1 AZACYCLOALKANONE SERINE PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-03-22 WO claimed
US-5831115-A CYCLOBUTANECARBOXAMIDES ABBOTT LABORATORIES (US) 1998-11-03 US claimed
EP-0821665-A1 CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHASE AND PROTEIN FARNESYLTRANSFERASE Abbott Laboratories (US) 1998-02-04 EP claimed
WO-1996033159-A1 CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHASE AND PROTEIN FARNESYLTRANSFERASE ABBOTT LABORATORIES (US) 1996-10-24 WO claimed

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-10076517-B2 Methods and pharmaceutical compositions for the treatment of fibrosis LIPA, MGLL, PNLIP TAAR1 2147/4885ALOX5 93/4885MAOB 437/4885
US-10077261-B2 Imidazolin-5-one derivative useful as FASN inhibitors for the treatment of cancer FASN, PLIN1, FABP1 TAAR1 2650/4885ALOX5 118/4885MAOB 1190/4885
US-20180327401-A1 IMIDAZOLIN-5-ONE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER FASN, PLIN1, FABP1 TAAR1 2650/4885ALOX5 118/4885MAOB 1190/4885
US-20160002219-A1 IMIDAZOLIN-5-ONE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER FASN, PLIN1, FABP1 TAAR1 2650/4885ALOX5 118/4885MAOB 1190/4885
US-20030109517-A1 Azacycloalkanone serine protease inhibitors CTRL, SERPINE1, SERPINB1 TAAR1 2282/4885ALOX5 722/4885MAOB 770/4885

“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.