SCHEMBL1478852

SCHEMBL1478852

CCCC(N)(C(=O)O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
CYP2D6 P10635 3/20 0.47
MAPT P10636 1/20 0.42
CYP2C19 P33261 4/20 0.41
HIF1A Q16665 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DRD2 P14416 1/20 0.41
OPRM1 P35372 1/20 0.41
DRD3 P35462 1/20 0.41
KIF11 P52732 4/20 0.41
LMNA P02545 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
SCN1A P35498 2/20 0.41
SCN2A Q99250 2/20 0.41
SCN3A Q9NY46 2/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41

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
SCHEMBL372366 0.89 KIF11 (0.49) CYP1A2KMT2AMEN1CYP2D6MAPT
SCHEMBL16586535 0.87 CYP1A2 (0.47) CYP1A2KMT2AMEN1CYP2D6MAPT
SCHEMBL5793007 0.87 KMT2A (0.50) CYP1A2KMT2AMEN1CYP2D6MAPT
SCHEMBL3664564 0.86 CYP1A2 (0.46) CYP1A2KMT2AMEN1CYP2D6KIF11
SCHEMBL28419024 0.86 CYP1A2 (0.46) CYP1A2KMT2AMEN1CYP2D6KIF11
SCHEMBL28419010 0.86 CYP1A2 (0.46) CYP1A2KMT2AMEN1CYP2D6KIF11
SCHEMBL28416200 0.86 CYP1A2 (0.46) CYP1A2KMT2AMEN1CYP2D6KIF11
SCHEMBL3664383 0.86 CYP1A2 (0.46) CYP1A2KMT2AMEN1CYP2D6KIF11
SCHEMBL2089245 0.84 CYP1A2 (0.70) CYP1A2KMT2AMEN1CYP2D6MAPT
SCHEMBL305912 0.84 CYP1A2 (0.70) CYP1A2KMT2AMEN1CYP2D6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107033043-B N- replaces benzenesulfonyl-substituted benzene formyl amine compound and its prepares the purposes of drug 中国人民解放军第二军医大学 2019-04-30 CN claimed
CN-105418966-B A kind of rubber additive and its preparation and application 同济大学 2017-12-15 CN claimed
CN-107033043-A N- replaces benzenesulfonyl-substituted benzene formyl amine compound and its prepares the purposes of medicine 中国人民解放军第二军医大学 2017-08-11 CN claimed
CN-106749373-B Rubber additive and preparation and application thereof 同济大学 2020-06-26 CN disclosed
EP-3277671-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER Bristol-Myers Squibb Company (US) 2018-02-07 EP disclosed
EP-3277670-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER Bristol-Myers Squibb Company (US) 2018-02-07 EP disclosed
EP-3277672-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER Bristol-Myers Squibb Company (US) 2018-02-07 EP disclosed
CN-105418966-B A kind of rubber additive and its preparation and application 同济大学 2017-12-15 CN disclosed
CN-106749373-A A kind of rubber additive and its preparation and application 同济大学 2017-05-31 CN disclosed
WO-2016161286-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-06 WO disclosed
WO-2016161279-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-06 WO disclosed
WO-2016161269-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-06 WO disclosed
US-8329926-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-12-11 US disclosed
US-8022083-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2011-09-20 US disclosed
US-7914776-B2 Solid dispersions of opioid antagonists ADOLOR CORPORATION (US) 2011-03-29 US disclosed
US-20090275535-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. 2009-11-05 US disclosed
US-20090012037-A1 Antiviral Compounds GILEAD SCIENCE, INC. (US) 2009-01-08 US disclosed
US-20070082053-A1 Solid dispersions of opioid antagonists ADOLOR CORPORATION (US) 2007-04-12 US disclosed
WO-1992004045-A1 NOVEL CHOLECYSTOKININ ANTAGONISTS, THEIR PREPARATION AND THERAPEUTIC USE WARNER-LAMBERT COMPANY (US) 1992-03-19 WO 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 (3 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-20090275535-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP CYP1A2 4769/4885KMT2A 3571/4885MEN1 3488/4885
US-20070082053-A1 Solid dispersions of opioid antagonists OPRK1, OPRD1, OPRM1 CYP1A2 226/4885KMT2A 2218/4885MEN1 4883/4885
US-20090012037-A1 Antiviral Compounds EIF2AK2, MAVS, ITPA CYP1A2 4700/4885KMT2A 3924/4885MEN1 3603/4885

“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.