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Sugi Predict / Compounds / SCHEMBL2900978

SCHEMBL2900978

SCHEMBL2900978

NCc1cc(-c2ccc(Cl)cc2)no1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 5/20 1.00
▸ MEN1 O00255 6/20 0.57
▸ KMT2A Q03164 6/20 0.57
▸ SMN1; SMN2 Q16637 5/20 0.57
▸ L3MBTL1 Q9Y468 4/20 0.57
▸ RAB9A P51151 4/20 0.57
▸ NPC1 O15118 3/20 0.57
▸ POLB P06746 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ CYP2C19 P33261 4/20 0.55
▸ CYP2C9 P11712 3/20 0.55
▸ CYP2E1 P05181 1/20 0.55
▸ CYP2A6 P11509 1/20 0.55
▸ CYP2B6 P20813 1/20 0.55
▸ MAPT P10636 4/20 0.55
▸ HTT P42858 3/20 0.55
▸ CYP1A2 P05177 3/20 0.55
▸ TDP1 Q9NUW8 2/20 0.55
▸ CYP3A4 P08684 2/20 0.55
▸ CYP2D6 P10635 2/20 0.55

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
SCHEMBL28927301 0.86 NOTUM (0.76) NOTUMMEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL3989189 0.84 NOTUM (0.72) NOTUMMEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL541967 0.84 NOTUM (0.72) NOTUMMEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL3981494 0.84 NOTUM (0.72) NOTUMMEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL8288256 0.82 NOTUM (0.70) NOTUMMEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL14541788 0.82 NOTUM (0.70) NOTUMMEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL2906099 0.82 NOTUM (0.70) NOTUMSMN1; SMN2L3MBTL1RAB9ANPC1
SCHEMBL3688842 0.82 NOTUM (0.70) NOTUMMEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL4311207 0.82 NOTUM (1.00) NOTUMMEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL2898351 0.82 NOTUM (0.70) NOTUMMEN1KMT2ASMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893572-B1 FACTOR XA INHIBITORS MILLENNIUM PHARM INC (US) 2016-12-14 — — EP claimed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 — — US claimed
EP-1893572-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-05 — — EP claimed
US-20060100193-A1 5-Chloro-N-((1-(4-(2-oxopyridin-1(2H)-yl)phenyl)-1H-1,2,3-triazol-4-yl)methyl)thiophene-2-carboxamide; 5-Chloro-thiophene-2-carboxylic acid (3-p-tolyl-4,5-dihydro-isoxazol-5-ylmethyl)-amide; undesirable thrombosis inhibitor MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-11 — — US claimed
WO-2006002099-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-01-05 — — WO claimed
EP-3280707-B1 BICYCLIC QUINAZOLINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-12-20 — — EP disclosed
US-11634391-B2 Compounds which are inhibitors of Notum UCL BUSINESS LTD (GB) 2023-04-25 — — US disclosed
CN-110066274-B Pyridine-2-formic acid derivative and preparation method and application thereof 厦门稀土材料研究所 2021-07-23 — — CN disclosed
EP-3843844-A1 COMPOUNDS UCL Business Ltd (GB) 2021-07-07 — — EP disclosed
US-20210171475-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2021-06-10 — — US disclosed
US-20200317624-A1 BICYCLIC QUINAZOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-10-08 — — US disclosed
US-10676446-B2 Bicyclic quinazolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2020-06-09 — — US disclosed
US-20080214636-A1 Glycyrrhetinic Acid-30-Amide Derivatives and Their Use TIANJIN INSTITUTE OF PHARMACEUTICAL RESEARCH (CN) 2008-09-04 — — US disclosed
US-20080214636-A1 Glycyrrhetinic Acid-30-Amide Derivatives and Their Use TIANJIN INSTITUTE OF PHARMACEUTICAL RESEARCH (CN) 2008-09-04 — — US disclosed
EP-1935892-A1 GLYCYRRHETINIC ACID-30-AMIDE DERIVATIVES AND THE USES THEREOF TIANJIN INSTITUTE OF PHARMACEUTICAL RESEARCH (CN) 2008-06-25 — — EP disclosed
EP-1893572-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-05 — — EP disclosed
US-20060100193-A1 5-Chloro-N-((1-(4-(2-oxopyridin-1(2H)-yl)phenyl)-1H-1,2,3-triazol-4-yl)methyl)thiophene-2-carboxamide; 5-Chloro-thiophene-2-carboxylic acid (3-p-tolyl-4,5-dihydro-isoxazol-5-ylmethyl)-amide; undesirable thrombosis inhibitor MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-11 — — US disclosed
WO-2006002099-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-01-05 — — WO disclosed
US-4203994-A Fungicidal 3-phenyl-5-(substituted methyl)isoxazoles ELI LILLY AND COMPANY (US) 1980-05-20 — — US disclosed
US-4109002-A FOR PLANT FOLIAGE ELI LILLY AND COMPANY (US) 1978-08-22 — — 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 (7 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-20060100193-A1 5-Chloro-N-((1-(4-(2-oxopyridin-1(2H)-yl)phenyl)-1H-1,2,3-triazol-4-yl)methyl)thiophene-2-carboxamide; 5-Chloro-thiophene-2-carboxylic acid (3-p-tolyl-4,5-dihydro-isoxazol-5-ylmethyl)-amide; undesirable thrombosis inhibitor TFPI, TFPI2, F12 NOTUM 1205/4885MEN1 3908/4885KMT2A 1515/4885
US-20200317624-A1 BICYCLIC QUINAZOLINONE DERIVATIVES BRD4, BICRA, NDUFC2 NOTUM 4486/4885MEN1 1931/4885KMT2A 2242/4885
US-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 NOTUM 578/4885MEN1 1740/4885KMT2A 3673/4885
US-11634391-B2 Compounds which are inhibitors of Notum NOTUM, GOT2, GOT1 NOTUM 1/4885MEN1 2634/4885KMT2A 4180/4885
US-20210171475-A1 COMPOUNDS GOT2, GOT1, OAT NOTUM 5/4885MEN1 2737/4885KMT2A 3672/4885
US-10676446-B2 Bicyclic quinazolinone derivatives BRD4, BICRA, NDUFC2 NOTUM 4486/4885MEN1 1931/4885KMT2A 2242/4885
US-20080214636-A1 Glycyrrhetinic Acid-30-Amide Derivatives and Their Use IL36G, CYP26A1, IL17A NOTUM 2772/4885MEN1 4054/4885KMT2A 4487/4885

“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.