Sugi Predict

Sugi Predict / Compounds / SCHEMBL3415038

SCHEMBL3415038

SCHEMBL3415038

CC(=O)C(=O)Nc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAPRT Q6XQN6 1/20 0.67
▸ HSD17B10 Q99714 1/20 0.67
▸ SMN1; SMN2 Q16637 5/20 0.58
▸ EPHX1 P07099 2/20 0.58
▸ TP53 P04637 1/20 0.58
▸ TSHR P16473 1/20 0.58
▸ EPHX2 P34913 1/20 0.58
▸ CDK9 P50750 1/20 0.58
▸ CLK4 Q9HAZ1 1/20 0.58
▸ NPC1 O15118 6/20 0.57
▸ RAB9A P51151 6/20 0.57
▸ MAPT P10636 3/20 0.57
▸ TAAR1 Q96RJ0 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ POLB P06746 1/20 0.57
▸ TAS2R38 P59533 1/20 0.54
▸ GAA P10253 2/20 0.53
▸ PTPN1 P18031 1/20 0.52
▸ PTPN11 Q06124 1/20 0.52
▸ PKM P14618 2/20 0.52

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
SCHEMBL5170779 0.86 NAPRT (0.67) NAPRTHSD17B10SMN1; SMN2EPHX1TP53
SCHEMBL57554 0.85 SMN1; SMN2 (0.70) NAPRTHSD17B10SMN1; SMN2EPHX1TP53
Benzene SCHEMBL28977956 0.85 SMN1; SMN2 (0.70) NAPRTHSD17B10SMN1; SMN2EPHX1TP53
SCHEMBL16088503 0.83 NAPRT (0.57) NAPRTHSD17B10SMN1; SMN2EPHX1TP53
SCHEMBL12588757 0.83 NAPRT (0.57) NAPRTHSD17B10SMN1; SMN2EPHX1TP53
SCHEMBL12220306 0.83 NAPRT (0.57) NAPRTHSD17B10SMN1; SMN2EPHX1TP53
SCHEMBL25736016 0.82 RAB9A (0.61) SMN1; SMN2NPC1RAB9AMAPTKMT2A
SCHEMBL13324799 0.82 NAPRT (0.61) NAPRTHSD17B10SMN1; SMN2EPHX1TP53
SCHEMBL8526360 0.82 NAPRT (0.61) NAPRTHSD17B10SMN1; SMN2EPHX1TP53
SCHEMBL14379300 0.82 NAPRT (0.61) NAPRTHSD17B10SMN1; SMN2EPHX1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216749-A1 Combination Therapy for Neuroprotection S.H. PHARMA., LTD (KR) 2010-08-26 — — US claimed
WO-2009045083-A2 COMBINATION THERAPY FOR NEUROPROTECTION S.H. PHARMA., LTD (KR) 2009-04-09 — — WO claimed
US-3983564-A Image recording member CANON KABUSHIKI KAISHA (JA) 1976-09-28 — — US claimed
JP-4210949-A — — None — — JP disclosed
CN-103159751-A A preparation method for the derivates of phenylpyruvic acid amide ketals CHONGQING HUABANG SHENGKAI PHARMACEUTICAL CO LTD 2013-06-19 — — CN disclosed
CN-103159751-A A preparation method for the derivates of phenylpyruvic acid amide ketals CHONGQING HUABANG SHENGKAI PHARMACEUTICAL CO LTD 2013-06-19 — — CN disclosed
CN-101679270-B Dihydroquinone and dihydronaphthyridine inhibitors of JNK HOFFMANN LA ROCHE 2013-05-01 — — CN disclosed
US-8426359-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-23 — — US disclosed
US-8314141-B2 Inhibitors of serine proteases, particularly hepatitis C virus NS3 protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-20 — — US disclosed
US-8314141-B2 Inhibitors of serine proteases, particularly hepatitis C virus NS3 protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-20 — — US disclosed
EP-2314598-A1 Inhibitors of Hepatitis C virus NS3 serine protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-27 — — EP disclosed
US-20100216749-A1 Combination Therapy for Neuroprotection S.H. PHARMA., LTD (KR) 2010-08-26 — — US disclosed
CN-101679270-A Dihydroquinone and dihydronaphthyridine inhibitors of JNK HOFFMANN LA ROCHE 2010-03-24 — — CN disclosed
US-20090143312-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-06-04 — — US disclosed
US-20090143312-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-06-04 — — US disclosed
WO-2009045083-A2 COMBINATION THERAPY FOR NEUROPROTECTION S.H. PHARMA., LTD (KR) 2009-04-09 — — WO disclosed
JP-H04210949-A PHENYLPYRUVIC ACID AMIDE DERIVATIVE AND ITS PRODUCTION SAGAMI CHEM RES CENTER 1992-08-03 — — JP disclosed
US-5116930-A Reactive isocyanate and hydroxy group in addition polymer KANSAI PAINT COMPANY LIMITED (JP) 1992-05-26 — — US disclosed
US-4535092-A Acylanilides having antiandrogenic activity IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-08-13 — — US disclosed
EP-0079191-A1 Amide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-05-18 — — EP 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-20090143312-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 PROTEASE HPN, PRSS1, PRSS3 NAPRT 2387/4885HSD17B10 1281/4885SMN1; SMN2 3883/4885
US-20100216749-A1 Combination Therapy for Neuroprotection MPO, BDNF, NLN NAPRT 1519/4885HSD17B10 1534/4885SMN1; SMN2 122/4885

“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.