Sugi Predict

Sugi Predict / Compounds / SCHEMBL4472138

SCHEMBL4472138

SCHEMBL4472138

O=Cc1cc(Br)ccc1OCCN1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ PTGDR2 Q9Y5Y4 1/20 0.54
▸ LTA4H P09960 4/20 0.51
▸ PTGS2 P35354 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ HTR1B P28222 1/20 0.51
▸ KDM4E B2RXH2 3/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ MAPT P10636 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ HTR2A P28223 1/20 0.45
▸ HTR2C P28335 1/20 0.45
▸ HTR2B P41595 1/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.45

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
SCHEMBL31320844 1.00 MEN1 (0.61) MEN1KMT2APTGDR2LTA4HPTGS2
SCHEMBL20911425 0.89 MEN1 (0.55) MEN1KMT2ALTA4HPTGS2ALDH1A1
SCHEMBL4471981 0.86 MEN1 (0.57) MEN1KMT2ALTA4HPTGS2ALDH1A1
SCHEMBL4524330 0.83 SMN1; SMN2 (0.49) MEN1KMT2ALTA4HKDM4ETDP1
SCHEMBL2322967 0.82 HTR1B (0.67) MEN1KMT2ALTA4HPTGS2ALDH1A1
SCHEMBL22264759 0.82 MEN1 (0.63) MEN1KMT2AALDH1A1HTR1BKDM4E
SCHEMBL13537998 0.82 SMN1; SMN2 (0.51) MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL22264915 0.81 MEN1 (0.69) MEN1KMT2AALDH1A1HTR1BKDM4E
SCHEMBL1578671 0.80 LTA4H (0.56) LTA4HPOLBSMN1; SMN2MAPTHTR2A
SCHEMBL6593991 0.79 MEN1 (0.85) MEN1KMT2ALTA4HPTGS2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3914256-B1 GPR35 MODULATORS PROMETHEUS BIOSCIENCES INC (US) 2024-05-29 — — EP disclosed
US-11773101-B2 GPR35 modulators PROMETHEUS BIOSCIENCES, INC. (US) 2023-10-03 — — US disclosed
US-11773101-B2 GPR35 modulators PROMETHEUS BIOSCIENCES, INC. (US) 2023-10-03 — — US disclosed
US-11773101-B2 GPR35 modulators PROMETHEUS BIOSCIENCES, INC. (US) 2023-10-03 — — US disclosed
US-20210380590-A1 GPR35 MODULATORS PROMETHEUS BIOSCIENCES, INC. 2021-12-09 — — US disclosed
EP-3914256-A1 GPR35 MODULATORS Prometheus Biosciences, Inc. (US) 2021-12-01 — — EP disclosed
CN-113631168-A GPR35 modulators 普罗米修斯生物科学公司 2021-11-09 — — CN disclosed
US-11053251-B2 GPR35 modulators PROMETHEUS BIOSCIENCES, INC. (US) 2021-07-06 — — US disclosed
WO-2020154492-A1 GPR35 MODULATORS PROMETHEUS BIOSCIENCES, INC. (US) 2020-07-30 — — WO disclosed
US-20200239476-A1 GPR35 MODULATORS PROMETHEUS BIOSCIENCES, INC. 2020-07-30 — — US disclosed
US-7592358-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 — — US disclosed
US-20080287399-A1 Substituted Aminopyridines and Uses Thereof ASTRAZENECA AB (SE) 2008-11-20 — — US disclosed
US-20080287399-A1 Substituted Aminopyridines and Uses Thereof ASTRAZENECA AB (SE) 2008-11-20 — — US disclosed
US-20080287399-A1 Substituted Aminopyridines and Uses Thereof ASTRAZENECA AB (SE) 2008-11-20 — — US disclosed
EP-1831170-A1 SUBSTITUTED AMINOPYRIDINES AND USES THEREOF AstraZeneca AB (SE) 2007-09-12 — — EP disclosed
EP-1737823-A2 NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS COMPRISING SAID COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2007-01-03 — — EP disclosed
WO-2006065204-A1 SUBSTITUTED AMINOPYRIDINES AND USES THEREOF ASTRAZENECA AB (SE) 2006-06-22 — — WO disclosed
WO-2006065204-A1 SUBSTITUTED AMINOPYRIDINES AND USES THEREOF ASTRAZENECA AB (SE) 2006-06-22 — — WO disclosed
WO-2005103002-A2 NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 — — WO disclosed
US-20050234101-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-20 — — 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 (6 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-20080287399-A1 Substituted Aminopyridines and Uses Thereof PSEN2, SLC1A2, PSEN1 MEN1 3533/4885KMT2A 1883/4885PTGDR2 1159/4885
US-20210380590-A1 GPR35 MODULATORS GPR35, GPR55, GPR65 MEN1 3744/4885KMT2A 4331/4885PTGDR2 188/4885
US-11053251-B2 GPR35 modulators GPR35, GPR55, GPR65 MEN1 3744/4885KMT2A 4331/4885PTGDR2 188/4885
US-11773101-B2 GPR35 modulators GPR35, GPR55, GPR65 MEN1 3744/4885KMT2A 4331/4885PTGDR2 188/4885
US-20200239476-A1 GPR35 MODULATORS GPR35, GPR55, GPR65 MEN1 3744/4885KMT2A 4331/4885PTGDR2 188/4885
US-20050234101-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 MEN1 1312/4885KMT2A 1176/4885PTGDR2 689/4885

“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.