Sugi Predict

Sugi Predict / Compounds / SCHEMBL2037488

SCHEMBL2037488

SCHEMBL2037488

N#C/C(=C/O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ CYP2C9 P11712 2/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ RAB9A P51151 5/20 0.49
▸ MAPT P10636 4/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ NPC1 O15118 4/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ LMNA P02545 3/20 0.42
▸ ESR1 P03372 2/20 0.41
▸ ESR2 Q92731 2/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ GAA P10253 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ PKM P14618 2/20 0.40

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
SCHEMBL4900509 1.00 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL2037491 1.00 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL11115910 0.98 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL10177473 0.81 ALDH1A1 (0.53) ALDH1A1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL21872319 0.81 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL1342675 0.81 ALDH1A1 (0.53) ALDH1A1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL1342671 0.81 ALDH1A1 (0.53) ALDH1A1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL17412695 0.79 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL20365632 0.79 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL10741171 0.79 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP2C9CYP2C19RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116514655-A Synthesis method of 3-methoxy-2- (2-halogenated methylphenyl) -2-methyl acrylate 山东京博农化科技股份有限公司 2023-08-01 — — CN disclosed
EP-3747508-B1 DNA ALKYLATING AGENTS FOR USE IN THE TREATMENT OF CANCER ASCENTA PHARMACEUTICALS LTD (CN) 2021-10-13 — — EP disclosed
EP-3747508-A1 DNA ALKYLATING AGENTS FOR USE IN THE TREATMENT OF CANCER ASCENTA PHARMACEUTICALS, LTD. (CN) 2020-12-09 — — EP disclosed
EP-3277380-B1 DNA ALKYLATING AGENTS OBI PHARMA INC (TW) 2020-09-16 — — EP disclosed
US-10766914-B2 DNA alkylating agents OBI PHARMA, INC. (TW) 2020-09-08 — — US disclosed
US-10364261-B2 DNA alkylating agents OBI PHARMA, INC. (TW) 2019-07-30 — — US disclosed
US-20190225633-A1 DNA ALKYLATING AGENTS OBI PHARMA, INC. (TW) 2019-07-25 — — US disclosed
EP-1791901-B1 STABILIZATION OF ORGANIC MATERIALS BASF SE (DE) 2018-03-28 — — EP disclosed
US-20180044360-A1 DNA ALKYLATING AGENTS OBI PHARMA, INC. (TW) 2018-02-15 — — US disclosed
EP-3277380-A1 DNA ALKYLATING AGENTS Threshold Pharmaceuticals, Inc. (US) 2018-02-07 — — EP disclosed
US-20090048230-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS NOVARTIS AG (CH) 2009-02-19 — — US disclosed
US-20080269382-A1 Stabilization of Organic Materials BASF SE (DE) 2008-10-30 — — US disclosed
EP-1791901-A2 STABILIZATION OF ORGANIC MATERIALS Ciba SC Holding AG (CH) 2007-06-06 — — EP disclosed
EP-1781623-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS Novartis AG (CH) 2007-05-09 — — EP disclosed
US-7202019-B2 Photothermographic imaging material KONICA MINOLTA HOLDINGS, INC. (JP) 2007-04-10 — — US disclosed
US-7202019-B2 Photothermographic imaging material KONICA MINOLTA HOLDINGS, INC. (JP) 2007-04-10 — — US disclosed
WO-2006024611-A2 STABILIZATION OF ORGANIC MATERIALS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-03-09 — — WO disclosed
WO-2006018284-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS NOVARTIS AG (CH) 2006-02-23 — — WO disclosed
US-4169838-A PYRAZOLYLTRIAZOLE HERBICIDES AMERICAN CYANAMID COMPANY (US) 1979-10-02 — — US disclosed
US-4115097-A Pyrazolyltriazole herbicides AMERICAN CYANAMID COMPANY (US) 1978-09-19 — — 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-10364261-B2 DNA alkylating agents TOP2A, TOP2B, TOP1 ALDH1A1 527/4885CYP1A2 1240/4885CYP2C9 1103/4885
US-20180044360-A1 DNA ALKYLATING AGENTS TOP2A, TOP2B, TOP1 ALDH1A1 527/4885CYP1A2 1240/4885CYP2C9 1103/4885
US-10766914-B2 DNA alkylating agents TOP2A, TOP2B, TOP1 ALDH1A1 527/4885CYP1A2 1240/4885CYP2C9 1103/4885
US-20090048230-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS CTSS, CTSZ, CTSF ALDH1A1 4107/4885CYP1A2 2567/4885CYP2C9 1966/4885
US-20190225633-A1 DNA ALKYLATING AGENTS TOP2A, TOP2B, TOP1 ALDH1A1 527/4885CYP1A2 1240/4885CYP2C9 1103/4885
US-20080269382-A1 Stabilization of Organic Materials LPO, PPOX, HMOX1 ALDH1A1 129/4885CYP1A2 714/4885CYP2C9 1396/4885

“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.