Sugi Predict

Sugi Predict / Compounds / SCHEMBL1422459

SCHEMBL1422459

SCHEMBL1422459

COCCCCn1c(C(Cl)(Cl)Cl)nc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.50
▸ SMN1; SMN2 Q16637 6/20 0.48
▸ TP53 P04637 3/20 0.48
▸ MAPT P10636 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ CXCR4 P61073 1/20 0.48
▸ POLB P06746 1/20 0.46
▸ GAA P10253 2/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ GLA P06280 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ TLR8 Q9NR97 2/20 0.46
▸ PKM P14618 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ NFKB2 Q00653 1/20 0.45
▸ RELA Q04206 1/20 0.45

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
SCHEMBL1422405 0.84 ACSS2 (0.37) HPGDSMN1; SMN2TP53MAPTPOLB
SCHEMBL1421207 0.84 GAA (0.43) HPGDSMN1; SMN2TP53MAPTTSHR
SCHEMBL8243888 0.83 LMNA (0.51) HPGDTP53MAPTTSHRALDH1A1
SCHEMBL1422529 0.83 ACSS2 (0.46) HPGDSMN1; SMN2TP53MAPTTSHR
SCHEMBL1422450 0.83 PTGER4 (0.39) TLR8
SCHEMBL20220764 0.79 TSHR (0.74) SMN1; SMN2TP53MAPTTSHRPOLB
SCHEMBL18997336 0.78 HPGD (0.65) HPGDSMN1; SMN2TP53TSHRGAA
SCHEMBL8314046 0.78 LMNA (0.56) HPGDSMN1; SMN2TP53MAPTTSHR
SCHEMBL1422440 0.76 KDM4E (0.42) HPGDMAPTTSHRGAAKDM4E
SCHEMBL5456420 0.75 CXCR4 (0.73) HPGDSMN1; SMN2TP53MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106414396-B The method for preparing heterocyclic compound 武田药品工业株式会社 2019-11-08 — — CN disclosed
US-9878981-B2 Method for producing heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-01-30 — — US disclosed
US-20170121286-A1 METHOD FOR PRODUCING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-05-04 — — US disclosed
EP-3130581-A1 METHOD FOR PRODUCING HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2017-02-15 — — EP disclosed
CN-106414396-A Method for producing heterocyclic compound 武田药品工业株式会社 2017-02-15 — — CN disclosed
US-20160046601-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-02-18 — — US disclosed
US-9221836-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-29 — — US disclosed
US-20150191486-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-07-09 — — US disclosed
US-9045436-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-06-02 — — US disclosed
US-9018374-B2 Crystal of amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-28 — — US disclosed
US-8664380-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-04 — — US disclosed
US-20130252954-A2 CRYSTAL OF AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-09-26 — — US disclosed
US-8466282-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-18 — — US disclosed
EP-2583967-A1 CRYSTAL OF AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2013-04-24 — — EP disclosed
US-20130090337-A1 CRYSTAL OF AMIDE COMPOUND KITAYAMA MASATO (JP) 2013-04-11 — — US disclosed
US-20120264733-A1 HETEROCYCLIC COMPOUND AND USE THEREOF SCOHIA PHARMA, INC. (JP) 2012-10-18 — — US disclosed
US-20110178057-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 — — US disclosed
EP-2297114-A2 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-03-23 — — EP disclosed
US-20100137587-A1 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-06-03 — — US disclosed
WO-2009154300-A2 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-23 — — 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 (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-20170121286-A1 METHOD FOR PRODUCING HETEROCYCLIC COMPOUND REN, AGT, AGTR1 HPGD 589/4885SMN1; SMN2 3722/4885TP53 2865/4885
US-20120264733-A1 HETEROCYCLIC COMPOUND AND USE THEREOF REN, AGT, ACE HPGD 25/4885SMN1; SMN2 4625/4885TP53 2255/4885
US-20110178057-A1 HETEROCYCLIC COMPOUND AND USE THEREOF REN, AGT, ACE HPGD 25/4885SMN1; SMN2 4567/4885TP53 3385/4885
US-20150191486-A1 HETEROCYCLIC COMPOUND AND USE THEREOF REN, AGT, ACE HPGD 25/4885SMN1; SMN2 4625/4885TP53 2255/4885
US-20160046601-A1 HETEROCYCLIC COMPOUND AND USE THEREOF REN, AGT, ACE HPGD 25/4885SMN1; SMN2 4625/4885TP53 2255/4885
US-20100137587-A1 Heterocyclic compound and use thereof REN, AGT, ACE HPGD 25/4885SMN1; SMN2 4625/4885TP53 2255/4885

“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.