SCHEMBL9935701

SCHEMBL9935701

OCc1nncc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.53
NPC1 O15118 4/20 0.52
ALDH1A1 P00352 3/20 0.52
LMNA P02545 3/20 0.52
RAB9A P51151 3/20 0.52
KDM4E B2RXH2 2/20 0.52
TP53 P04637 2/20 0.52
CYP3A4 P08684 2/20 0.52
GOT1 P17174 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2D6 P10635 2/20 0.52
PKM P14618 1/20 0.52
MAOA P21397 1/20 0.52
PTGS1 P23219 1/20 0.52
THPO P40225 1/20 0.52
AOX1 Q06278 1/20 0.52
ACOX1 Q15067 1/20 0.52
TDP1 Q9NUW8 2/20 0.50
MAPT P10636 2/20 0.50

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
SCHEMBL30655918 0.85 MPO (0.46) MPONPC1ALDH1A1LMNARAB9A
SCHEMBL7074857 0.82 MPO (0.44) MPONPC1ALDH1A1LMNARAB9A
SCHEMBL9935697 0.80 CYP19A1 (0.49) MPONPC1ALDH1A1LMNARAB9A
SCHEMBL22337427 0.80 LMNA (0.47) MPONPC1ALDH1A1LMNARAB9A
SCHEMBL31300314 0.80 LMNA (0.47) MPONPC1ALDH1A1LMNARAB9A
SCHEMBL19952861 0.80 LMNA (0.52) MPONPC1ALDH1A1LMNARAB9A
SCHEMBL291353 0.80 KDM4E (0.47) MPONPC1ALDH1A1LMNARAB9A
SCHEMBL2317712 0.80 LMNA (0.47) MPONPC1ALDH1A1LMNARAB9A
SCHEMBL8372463 0.80 LMNA (0.47) MPONPC1ALDH1A1LMNARAB9A
SCHEMBL31300313 0.80 KDM4E (0.47) MPONPC1ALDH1A1LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0086438-A1 Process and intermediates for preparing 4-hydroxymethyl-1-phthalazone derivatives Nippon Kayaku Kabushiki Kaisha (JP) 1983-08-24 EP claimed
JP-56036465-A None JP disclosed
CN-110366550-A Benzoisothiazole, isothiazolo [3,4-b ] pyridine, quinazoline, phthalazine, pyrido [2,3-d ] pyridazine and pyrido [2,3-d ] pyrimidine derivatives as KRAS G12C inhibitors for the treatment of lung, pancreatic or colorectal cancer 美国安进公司 2019-10-22 CN disclosed
CN-105456269-B Pharmaceutical composition for treating prostatic hyperplasia and application thereof 青岛市市立医院 2018-12-25 CN disclosed
US-20150266839-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-09-24 US disclosed
US-20150225392-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-08-13 US disclosed
US-9072758-B2 Cyclic amide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-07-07 US disclosed
US-9040525-B2 Cyclic amide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 US disclosed
US-8765752-B2 3-hydroxyisothiazole 1-oxide derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-07-01 US disclosed
EP-2703393-A1 CYCLIC AMIDE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2014-03-05 EP disclosed
US-20130203739-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-08-08 US disclosed
US-8476287-B2 3-hydroxy-5-arylisothiazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 US disclosed
US-8455500-B2 3-hydroxy-5-arylisoxazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-06-04 US disclosed
US-20120277150-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-11-01 US disclosed
EP-2518060-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2012-10-31 EP disclosed
EP-2495238-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2012-09-05 EP disclosed
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-08-30 US disclosed
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-06-21 US disclosed
EP-0086438-A1 Process and intermediates for preparing 4-hydroxymethyl-1-phthalazone derivatives Nippon Kayaku Kabushiki Kaisha (JP) 1983-08-24 EP disclosed
JP-S5636465-A PHTHALAZONE-4-HYDROXYACETIC ACID DERIVATIVE, ITS PREPARATION AND PRODUCTION OF 4-HYDROXYMETHYLPHTHALAZONE DERIVATIVE NIPPON KAYAKU CO LTD 1981-04-09 JP 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-20150266839-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR4A1 MPO 4571/4885NPC1 1819/4885ALDH1A1 3399/4885
US-20150225392-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR2C2 MPO 4128/4885NPC1 803/4885ALDH1A1 3218/4885
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE GPR119, GPR27, NR0B1 MPO 4258/4885NPC1 1649/4885ALDH1A1 2875/4885
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE GPR119, GPR27, NR0B1 MPO 4060/4885NPC1 1695/4885ALDH1A1 2867/4885
US-20120277150-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVE GPR119, GPR27, GPR65 MPO 3983/4885NPC1 781/4885ALDH1A1 2508/4885
US-20130203739-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR2C2 MPO 4112/4885NPC1 748/4885ALDH1A1 3127/4885

“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.