Sugi Predict

Sugi Predict / Compounds / SCHEMBL1133893

SCHEMBL1133893

SCHEMBL1133893

CCCOc1ccc(NC(C)=O)cc1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.74
▸ LMNA P02545 2/20 0.74
▸ MEN1 O00255 2/20 0.74
▸ CYP1A2 P05177 1/20 0.74
▸ TDP1 Q9NUW8 1/20 0.74
▸ ALDH1A1 P00352 3/20 0.73
▸ MAPT P10636 5/20 0.68
▸ FAAH O00519 2/20 0.66
▸ SMN1; SMN2 Q16637 1/20 0.65
▸ RAB9A P51151 4/20 0.60
▸ KDM4E B2RXH2 1/20 0.58
▸ TSHR P16473 1/20 0.58
▸ MCL1 Q07820 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ RECQL P46063 1/20 0.58
▸ HTT P42858 1/20 0.58
▸ TBXAS1 P24557 1/20 0.57

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
SCHEMBL3223930 0.93 LMNA (0.74) KMT2ALMNAMEN1CYP1A2TDP1
SCHEMBL11111056 0.91 ALDH1A1 (0.80) KMT2ALMNAMEN1CYP1A2TDP1
SCHEMBL7491784 0.90 LMNA (0.70) KMT2ALMNAMEN1CYP1A2TDP1
SCHEMBL10802880 0.89 ALDH1A1 (0.77) KMT2ALMNAMEN1CYP1A2TDP1
SCHEMBL9885419 0.88 FAAH (0.68) KMT2ALMNAMEN1CYP1A2TDP1
SCHEMBL16316826 0.88 FAAH (0.68) KMT2ALMNAMEN1CYP1A2TDP1
SCHEMBL8733277 0.88 FAAH (0.68) KMT2ALMNAMEN1CYP1A2TDP1
SCHEMBL9570672 0.87 ALDH1A1 (0.75) KMT2ALMNAMEN1CYP1A2TDP1
SCHEMBL9570550 0.87 ALDH1A1 (0.75) KMT2ALMNAMEN1CYP1A2TDP1
SCHEMBL5820622 0.87 LMNA (0.67) KMT2ALMNAMEN1CYP1A2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013171281-A1 HYDANTOIN AND THIOHYDANTOIN DERIVATIVES AS ANTIVIRAL DRUGS VIVALIS (FR) 2013-11-21 — — WO claimed
US-9951001-B2 Hepatoprotectant acetaminophen mutual prodrugs ACORDA THERAPEUTICS, INC. (US) 2018-04-24 — — US disclosed
US-20160326107-A1 HEPATOPROTECTANT ACETAMINOPHEN MUTUAL PRODRUGS NEUROGESX, INC. 2016-11-10 — — US disclosed
CN-103601685-A Preparation method of oxibendazole CHANGZHOU YABANG QH PHARMACHEM CO LTD 2014-02-26 — — CN disclosed
EP-2188245-B1 Nitric oxide releasing derivatives of paracetamol COUNCIL SCIENT IND RES (IN) 2013-11-06 — — EP disclosed
US-8207222-B2 Nitric oxide releasing derivatives of paracetamol COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2012-06-26 — — US disclosed
US-8207222-B2 Nitric oxide releasing derivatives of paracetamol COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2012-06-26 — — US disclosed
US-20120135864-A1 POLLINATION IMPROVER TAMINCO, NAAMLOZE VENNOOTSCHAP (BE) 2012-05-31 — — US disclosed
US-20120108431-A1 PLANT GROWTH REGULATOR ADDITIVE TAMINCO, NAAMLOZE VENNOOTSCHAP (BE) 2012-05-03 — — US disclosed
US-20120088667-A1 SAFENING AGENT TAMINCO, NAAMLOZE VENNOOTSCHAP (BE) 2012-04-12 — — US disclosed
US-7655689-B2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-02 — — US disclosed
WO-2009143299-A1 HEPATOPROTECTANT ACETAMINOPHEN MUTUAL PRODRUGS NEUROGESX, INC. (US) 2009-11-26 — — WO disclosed
US-7517904-B2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-14 — — US disclosed
US-7517904-B2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-14 — — US disclosed
US-7470797-B2 Fused heterocyclic imido and amido compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 — — US disclosed
US-7470797-B2 Fused heterocyclic imido and amido compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 — — US disclosed
EP-0638075-B1 THIAZOLE OR IMIDAZOLE DERIVATIVES AS MAILLARD REACTION INHIBITORS OTSUKA PHARMA CO LTD (JP) 2002-01-16 — — EP disclosed
WO-1999031030-A1 O-ALKYLATION OF PHENOL COMPOUNDS RHODIA-CHIMIE (FR) 1999-06-24 — — WO disclosed
WO-1998043649-A2 AGE PRODUCTION INHIBITORY COMPOSITION COMPRISING A MAILLARD REACTION INHIBITOR AND VITAMIN B¿6? OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-10-08 — — WO disclosed
US-5677322-A THERAPY FOR AGING, DIABETES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-10-14 — — 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-20160326107-A1 HEPATOPROTECTANT ACETAMINOPHEN MUTUAL PRODRUGS PTGS1, HPGD, PYGL KMT2A 4597/4885LMNA 3544/4885MEN1 4430/4885
US-20120088667-A1 SAFENING AGENT PIN1, IPO11, XPO1 KMT2A 4263/4885LMNA 4057/4885MEN1 1807/4885
US-20120135864-A1 POLLINATION IMPROVER AADAT, TIPARP, GSR KMT2A 3315/4885LMNA 4856/4885MEN1 3460/4885
US-20120108431-A1 PLANT GROWTH REGULATOR ADDITIVE MYB, ING2, AGXT KMT2A 710/4885LMNA 4728/4885MEN1 4545/4885

“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.