SCHEMBL5539261

SCHEMBL5539261

Clc1cccc(N2CCOCC2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.71
ALDH1A1 P00352 2/20 0.64
MAPT P10636 2/20 0.64
LMNA P02545 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
ALOX12 P18054 1/20 0.64
PKM P14618 1/20 0.63
ALOX15 P16050 1/20 0.63
TSHR P16473 1/20 0.63
MAPK1 P28482 1/20 0.63
HSD17B10 Q99714 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
HTR3E A5X5Y0 2/20 0.62
HTR3B O95264 2/20 0.62
HTR3A P46098 2/20 0.62
HTR3D Q70Z44 2/20 0.62
HTR3C Q8WXA8 2/20 0.62
HTR1A P08908 2/20 0.62
HTR2A P28223 2/20 0.62
HTR7 P34969 2/20 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
SCHEMBL5539252 1.00 AKR1C3 (0.71) AKR1C3ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL6739807 0.89 AKR1C3 (0.63) AKR1C3ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL27329825 0.86 LMNA (0.71) AKR1C3ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL6714846 0.86 ALDH1A1 (0.75) ALDH1A1MAPTLMNASMN1; SMN2ALOX12
SCHEMBL11100857 0.86 ALDH1A1 (0.75) ALDH1A1MAPTLMNASMN1; SMN2ALOX12
SCHEMBL20887051 0.84 MAPT (0.62) AKR1C3ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL9646111 0.84 ALDH1A1 (0.73) ALDH1A1MAPTLMNASMN1; SMN2ALOX12
SCHEMBL1124210 0.84 AKR1C3 (0.58) AKR1C3ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL29595602 0.82 HTR3E (0.69) ALDH1A1MAPTLMNASMN1; SMN2ALOX12
SCHEMBL26770369 0.82 HTR3E (0.69) ALDH1A1MAPTLMNASMN1; SMN2ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021096496-A1 METHODS FOR FORMING ARYL CARBON-NITROGEN BONDS USING LIGHT AND PHOTOREACTORS USEFUL FOR CONDUCTING SUCH REACTIONS COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2021-05-20 WO disclosed
EP-3790862-A2 METHODS FOR FORMING ARYL CARBON-NITROGEN BONDS USING LIGHT AND PHOTOREACTORS USEFUL FOR CONDUCTING SUCH REACTIONS Colorado State University Research Foundation (US) 2021-03-17 EP disclosed
CN-112262128-A Method for forming aryl carbon-nitrogen bond by illumination and photoreactor for carrying out the reaction 科罗拉多州立大学研究基金会 2021-01-22 CN disclosed
US-20200147581-A1 METHODS FOR FORMING ARYL CARBON-NITROGEN BONDS USING LIGHT AND PHOTOREACTORS USEFUL FOR CONDUCTING SUCH REACTIONS COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2020-05-14 US disclosed
US-20200147581-A1 METHODS FOR FORMING ARYL CARBON-NITROGEN BONDS USING LIGHT AND PHOTOREACTORS USEFUL FOR CONDUCTING SUCH REACTIONS COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2020-05-14 US disclosed
WO-2020036661-A2 METHODS FOR FORMING ARYL CARBON-NITROGEN BONDS USING LIGHT AND PHOTOREACTORS USEFUL FOR CONDUCTING SUCH REACTIONS COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2020-02-20 WO disclosed
US-20190345122-A1 METHODS FOR FORMING ARYL CARBON-NITROGEN BONDS USING LIGHT AND PHOTOREACTORS USEFUL FOR CONDUCTING SUCH REACTIONS COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2019-11-14 US disclosed
US-20190345122-A1 METHODS FOR FORMING ARYL CARBON-NITROGEN BONDS USING LIGHT AND PHOTOREACTORS USEFUL FOR CONDUCTING SUCH REACTIONS COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2019-11-14 US disclosed
US-9656996-B2 Fused heterocyclic compound, preparation method therefor, pharmaceutical composition, and uses thereof SHANGHAI YINGLI PHARMACEUTICAL CO., LTD. (CN) 2017-05-23 US disclosed
US-20160244432-A1 FUSED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTCIAL COMPOSITION, AND USES THEREOF SHANGHAI YINGLI PHARMACEUTICAL CO., LTD. (CN) 2016-08-25 US disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
US-5773437-A UROGENITAL DISORDERS SUCH AS DYSURIA NIPPON CHEMIPHAR CO., LTD. (JP) 1998-06-30 US disclosed
US-4046752-A Process for preparing an azo compound from a 2-aminothiazole diazo component HOECHST AKTIENGESELLSCHAFT (DT) 1977-09-06 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 (3 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-20160244432-A1 FUSED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTCIAL COMPOSITION, AND USES THEREOF PIK3CA, PIK3CD, PIK3R5 AKR1C3 1128/4885ALDH1A1 3370/4885MAPT 3305/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 AKR1C3 246/4885ALDH1A1 355/4885MAPT 4117/4885
US-20190345122-A1 METHODS FOR FORMING ARYL CARBON-NITROGEN BONDS USING LIGHT AND PHOTOREACTORS USEFUL FOR CONDUCTING SUCH REACTIONS TYR, CRY2, CRY1 AKR1C3 647/4885ALDH1A1 1574/4885MAPT 3361/4885

“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.