SCHEMBL12597876

SCHEMBL12597876

Cc1cc(Cl)c(C(C)(C)C)c(Cl)n1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ L3MBTL1 Q9Y468 3/20 0.34
▸ KMT2A Q03164 3/20 0.33
▸ GAA P10253 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ HPGD P15428 1/20 0.32

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
SCHEMBL12733909 0.83 SMN1; SMN2 (0.47) ALDH1A1MAPK1SMN1; SMN2POLBL3MBTL1
SCHEMBL20457102 0.83 LMNA (0.37) ALDH1A1MAPK1SMN1; SMN2POLBLMNA
SCHEMBL19833124 0.75 ALDH1A1 (0.31) ALDH1A1MAPK1SMN1; SMN2POLBLMNA
SCHEMBL2091242 0.72 LMNA (0.47) ALDH1A1MAPK1SMN1; SMN2POLBLMNA
SCHEMBL29892233 0.72 ALDH1A1 (0.43) ALDH1A1MAPK1SMN1; SMN2POLBLMNA
SCHEMBL5843250 0.72 ALDH1A1 (0.43) ALDH1A1MAPK1SMN1; SMN2POLBLMNA
SCHEMBL30124712 0.70 POLB (0.45) ALDH1A1MAPK1SMN1; SMN2POLBLMNA
SCHEMBL1886976 0.70 POLB (0.45) ALDH1A1MAPK1SMN1; SMN2POLBLMNA
SCHEMBL20457088 0.70 LMNA (0.37) ALDH1A1MAPK1SMN1; SMN2POLBLMNA
SCHEMBL78162 0.69 L3MBTL1 (0.39) ALDH1A1SMN1; SMN2POLBL3MBTL1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180028660-A1 DRUG COMBINATIONS COMPRISING A DGAT INHIBITOR AND A PPAR-AGONIST JANSSEN PHARMACEUTICA NV (BE) 2018-02-01 — — US disclosed
US-20180028660-A1 DRUG COMBINATIONS COMPRISING A DGAT INHIBITOR AND A PPAR-AGONIST JANSSEN PHARMACEUTICA NV (BE) 2018-02-01 — — US disclosed
US-9724418-B2 Drug combinations comprising a DGAT inhibitor and a PPAR-agonist JANSSEN PHARMACEUTICA NV (BE) 2017-08-08 — — US disclosed
US-9724418-B2 Drug combinations comprising a DGAT inhibitor and a PPAR-agonist JANSSEN PHARMACEUTICA NV (BE) 2017-08-08 — — US disclosed
US-20160081997-A1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2016-03-24 — — US disclosed
US-9227935-B2 Piperidine/piperazine derivatives JANSSEN PHARMACEUTICAL N.V. (BE) 2016-01-05 — — US disclosed
US-20150320741-A1 DRUG COMBINATIONS COMPRISING A DGAT INHIBITOR AND A PPAR-AGONIST JANSSEN PHARMACEUTICA NV (BE) 2015-11-12 — — US disclosed
US-9107946-B2 Drug combinations comprising a DGAT inhibitor and a PPAR-agonist JANSSEN PHARMACEUTICA NV (BE) 2015-08-18 — — US disclosed
US-20150087629-A1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2015-03-26 — — US disclosed
US-8946228-B2 Piperidine/piperazine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2015-02-03 — — US disclosed
US-20110112111-A1 DRUG COMBINATIONS COMPRISING A DGAT INHIBITOR AND A PPAR-AGONIST JANSSEN PHARMACEUTICA NV (BE) 2011-05-12 — — US disclosed
US-20100210618-A1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2010-08-19 — — US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 — — US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 — — 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 (7 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-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 ALDH1A1 2674/4885MAPK1 2068/4885SMN1; SMN2 1844/4885
US-20150320741-A1 DRUG COMBINATIONS COMPRISING A DGAT INHIBITOR AND A PPAR-AGONIST PPARG, PPARA, DGAT1 ALDH1A1 585/4885MAPK1 2613/4885SMN1; SMN2 4874/4885
US-20180028660-A1 DRUG COMBINATIONS COMPRISING A DGAT INHIBITOR AND A PPAR-AGONIST PPARG, PPARA, DGAT1 ALDH1A1 585/4885MAPK1 2613/4885SMN1; SMN2 4874/4885
US-20100210618-A1 PIPERIDINE/PIPERAZINE DERIVATIVES DGAT1, DGAT2, NAT1 ALDH1A1 150/4885MAPK1 886/4885SMN1; SMN2 4358/4885
US-20150087629-A1 PIPERIDINE/PIPERAZINE DERIVATIVES DGAT1, NAT1, SOAT1 ALDH1A1 189/4885MAPK1 698/4885SMN1; SMN2 4330/4885
US-20110112111-A1 DRUG COMBINATIONS COMPRISING A DGAT INHIBITOR AND A PPAR-AGONIST PPARG, PPARA, DGAT1 ALDH1A1 585/4885MAPK1 2613/4885SMN1; SMN2 4874/4885
US-20160081997-A1 PIPERIDINE/PIPERAZINE DERIVATIVES DGAT1, DGAT2, SOAT1 ALDH1A1 231/4885MAPK1 718/4885SMN1; SMN2 4337/4885

“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.

Send feedback