SCHEMBL2090891

SCHEMBL2090891

[CH2]C(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.64
SRD5A2 P31213 1/20 0.55
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
NPC1 O15118 1/20 0.52
MAPT P10636 1/20 0.52
PKM P14618 1/20 0.52
RAB9A P51151 1/20 0.52
HPGD P15428 3/20 0.50
BCAT2 O15382 1/20 0.50
POLB P06746 1/20 0.48
HTT P42858 1/20 0.48
KMO O15229 3/20 0.47

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
SCHEMBL367843 0.81 BCAT2 (0.65) TSHRSRD5A2MEN1KMT2AKDM4E
SCHEMBL28866121 0.81 BCAT2 (0.65) TSHRSRD5A2MEN1KMT2AKDM4E
SCHEMBL2549892 0.80 KDM4E (0.50) TSHRMEN1KMT2AKDM4ENPC1
SCHEMBL14894712 0.80 TAS1R3 (0.50) TSHRMEN1KMT2ANPC1MAPT
SCHEMBL2088683 0.80 KCNQ3 (0.49) TSHRSRD5A2KMO
SCHEMBL6322177 0.80 SRD5A2 (0.79) TSHRSRD5A2MEN1KMT2AKDM4E
SCHEMBL3184435 0.80 TSHR (0.70) TSHRSRD5A2MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL4372370 0.79 BCAT2 (0.62) TSHRSRD5A2MEN1KMT2AKDM4E
SCHEMBL110094 0.78 TSHR (0.67) TSHRSRD5A2MEN1KMT2AKDM4E
SCHEMBL371998 0.78 TSHR (1.00) TSHRSRD5A2MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785425-B2 11β-hydroxyandrosta-4-ene-3-ones SUN PHARMA ADVANCED RESEARCH COMPANY LTD. 2014-07-22 US disclosed
CN-101384610-B 11 beta-hydroxyandrostan-4-en-3-ones SUN PHARMA ADVANCED RES CO LTD 2013-07-17 CN disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
US-20090054388-A1 NOVEL 11 BETA-HYDROXYANDROSTA-4-ENE-3-ONES SUN PHARMA ADVANCE RESEARCH COMPANY (IN) 2009-02-26 US disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
EP-1024806-B1 USE OF NON-IMMUNOSUPPRESSIVE COMPOUNDS FOR PROMOTING NERVE REGENERATION UNIV OREGON HEALTH SCIENCES (US) 2005-06-08 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed
US-6734211-B1 FOR STIMULATING NERVE CELL GROWTH IN A SUBJECT COMPRISING ADMINISTERING TO THE SUBJECT A BASTADIN COMPOUND OR ITS ANALOGS OREGON HEALTH & SCIENCES UNIVERSITY 2004-05-11 US disclosed
EP-1024806-A1 USE OF NON-IMMUNOSUPPRESSIVE COMPOUNDS FOR PROMOTING NERVE REGENERATION OREGON HEALTH SCIENCES UNIVERSITY (US) 2000-08-09 EP disclosed
WO-1999021552-A1 USE OF NON-IMMUNOSUPPRESSIVE COMPOUNDS FOR PROMOTING NERVE REGENERATION OREGON HEALTH SCIENCES UNIVERSITY (US) 1999-05-06 WO 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 (2 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-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 TSHR 162/4885SRD5A2 405/4885MEN1 4525/4885
US-20090054388-A1 NOVEL 11 BETA-HYDROXYANDROSTA-4-ENE-3-ONES HSD11B1, HSD3B1, HSD3B2 TSHR 801/4885SRD5A2 18/4885MEN1 776/4885

“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.