Sugi Predict

Sugi Predict / Compounds / SCHEMBL117206

SCHEMBL117206

SCHEMBL117206

Clc1ccc(C2(CBr)OCCO2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.38
▸ MAOB P27338 2/20 0.38
▸ KDM1A O60341 1/20 0.38
▸ SLC6A4 P31645 5/20 0.35
▸ SLC6A3 Q01959 5/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ UTS2R Q9UKP6 2/20 0.33
▸ SLC6A2 P23975 3/20 0.33
▸ POLB P06746 1/20 0.33
▸ CHRNA1 P02708 1/20 0.33
▸ CHRNG P07510 1/20 0.33
▸ CHRNB1 P11230 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33

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
SCHEMBL10849609 0.94 ALDH1A1 (0.38) MAOAMAOBKDM1ASLC6A4SLC6A3
SCHEMBL28599789 0.92 SLC6A4 (0.37) MAOAMAOBKDM1ASLC6A4SLC6A3
SCHEMBL10853948 0.88 SLC6A4 (0.34) MAOAMAOBKDM1ASLC6A4SLC6A3
SCHEMBL28011963 0.85 MAOA (0.36) MAOAMAOBKDM1ASLC6A4SLC6A3
SCHEMBL28618351 0.82 SLC6A4 (0.39) MAOAMAOBKDM1ASLC6A4SLC6A3
SCHEMBL11239172 0.82 MAOA (0.34) MAOAMAOBKDM1ASLC6A4SLC6A3
SCHEMBL12134102 0.82 MAPK1 (0.38) MAOAMAOBKDM1ASLC6A4SLC6A3
SCHEMBL9367962 0.82 KDM4E (0.37) ALDH1A1TSHRMAPK1CYP2A6SMN1; SMN2
SCHEMBL28608942 0.80 SLC6A3 (0.38) MAOAMAOBKDM1ASLC6A4SLC6A3
SCHEMBL11460888 0.80 TSHR (0.32) SLC6A3TSHRSLC6A2CHRNA1CHRNG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113234066-A Propiconazole-like compound and preparation method and application thereof 浙江工业大学 2021-08-10 — — CN disclosed
EP-2424366-B1 PYRIDO [4, 3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES INC (US) 2016-02-17 — — EP disclosed
US-8927571-B2 Pyrido[4,3-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-01-06 — — US disclosed
US-8741919-B2 Pyrido[4,3-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2014-06-03 — — US disclosed
US-20130190331-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 — — US disclosed
US-20120172377-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2012-07-05 — — US disclosed
EP-2424366-A1 PYRIDO [4, 3-B]INDOLES AND METHODS OF USE Medivation Technologies, Inc. (US) 2012-03-07 — — EP disclosed
WO-2011019417-A1 PYRIDO [4, 3-B] INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2011-02-17 — — WO disclosed
US-7498344-B2 Arylpiperidinol and arylpiperidine derivatives and pharmaceuticals containing the same ASUBIO PHARMA CO., LTD. (JP) 2009-03-03 — — US disclosed
US-20060166985-A1 Pyrrolydin-2-one derivatives as inhibitors of thrombin and factor xa GLAXO GROUP LIMITED (GB) 2006-07-27 — — US disclosed
WO-2004052851-A1 PYRROLYDIN-2-ONE DERIVATIVES AS INHIBITORS OF THROMBIN AND FACTOR XA GLAXO GROUP LIMITED (GB) 2004-06-24 — — WO disclosed
US-6706734-B2 ANTIISCHEMIC AGENTS; ANTICONVULSANTS; HEADACHES DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2004-03-16 — — US disclosed
US-20030130312-A1 Arylpiperidinol and arylpiperidine derivatives and pharmaceuticals containing the same ASUBIO PHARMA CO., LTD. (JP) 2003-07-10 — — US disclosed
US-6469010-B1 COMPOSITION ALSO FOR ALLEVIATION OR TREATMENT OF SYMPTOMS DERIVED FROM SEIZURES, EPILEPSY AND MIGRAINE HEADACHES, AND SUPPRESSION OF CALCIUM ION OVERLOAD SUNTORY LIMITED (JP) 2002-10-22 — — US disclosed
US-6455549-B1 ANTIEPILEPTIC, ANTIISCHEMIC, AND ANTIMIGRAINE AGENTS; CALCIUM OVELOAD SUPPRESSANTS SUNTORY LIMITED (JP) 2002-09-24 — — US disclosed
US-6048876-A ANTICONVULSANTS; ANTIEPILEPIC AGENT SUNTORY LIMITED (JP) 2000-04-11 — — US disclosed
EP-0867183-A1 ARYLPIPERIDINOL AND ARYLPIPERIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME SUNTORY LIMITED (JP) 1998-09-30 — — EP disclosed
EP-0755923-A1 AMELIORANT OR REMEDY FOR SYMPTOMS CAUSED BY ISCHEMIC DISEASES AND COMPOUNDS USEFUL THEREFOR SUNTORY LIMITED (JP) 1997-01-29 — — EP disclosed
US-4160838-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1979-07-10 — — US disclosed
US-4079062-A ANTIMICROBIAL, PLANT GROWTH REGULATORS; 1-(B-ARYL)ETHYL-1H-1,2,4-TRIAZOLE KETALS JANSSEN PHARMACEUTICA N.V. (BE) 1978-03-14 — — 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 (4 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-20120172377-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C MAOA 75/4885MAOB 31/4885KDM1A 2157/4885
US-20130190331-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C MAOA 75/4885MAOB 31/4885KDM1A 2157/4885
US-20030130312-A1 Arylpiperidinol and arylpiperidine derivatives and pharmaceuticals containing the same KCNH1, KCNH2, NPY1R MAOA 56/4885MAOB 86/4885KDM1A 477/4885
US-20060166985-A1 Pyrrolydin-2-one derivatives as inhibitors of thrombin and factor xa TFPI, TFPI2, SERPINC1 MAOA 722/4885MAOB 769/4885KDM1A 2422/4885

“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.