SCHEMBL1828173

SCHEMBL1828173

CC1Cc2ccccc2[C]N1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
ACHE P22303 1/20 0.33
OPRM1 P35372 1/20 0.33
HTR2A P28223 3/20 0.31
HTR2C P28335 3/20 0.31
HTR2B P41595 3/20 0.31

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
SCHEMBL3370161 0.76 CYP2D6 (0.32)
SCHEMBL4738898 0.72 TRPM5 (0.37) CREBBP
SCHEMBL3374279 0.71 MAPT (0.53) TSHR
SCHEMBL21767243 0.69 TSHR (0.50) TSHRBRD4CREBBPACHEOPRM1
SCHEMBL11004524 0.68 ACHE (0.41) TSHRBRD4CREBBPACHEOPRM1
SCHEMBL5458998 0.67 CYP3A4 (0.41) TSHRACHE
SCHEMBL4161186 0.66 MAPT (0.37)
SCHEMBL6141217 0.66 PNMT (0.35) TSHR
SCHEMBL6326122 0.65 ACHE (0.34) TSHRBRD4CREBBPACHEOPRM1
SCHEMBL1690518 0.64 PNMT (0.58)

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
EP-2007733-B1 AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS MSD ITALIA SRL (IT) 2016-05-25 EP disclosed
EP-1828171-B1 HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2014-03-12 EP disclosed
US-20110201657-A1 AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-08-18 US disclosed
US-20110183974-A1 1,2,4-OXADIAZOLE SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI (IT) 2011-07-28 US disclosed
EP-2318400-A1 1,2,4-OXADIAZOLE SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS Istituto Di Ricerche Di Biologia Molecolare P. Angeletti S.P.A. (IT) 2011-05-11 EP disclosed
US-7863294-B2 Heterocycle derivatives as histone deacetylase (HDAC) inhibitors INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-01-04 US disclosed
US-20100324091-A1 Pyrazolone Derivative KOWA COMPANY, LTD. (JP) 2010-12-23 US disclosed
EP-2172458-A1 PYRAZOLONE DERIVATIVE Kowa Company, Ltd. (JP) 2010-04-07 EP disclosed
WO-2010013037-A1 1,2,4-OXADIAZOLE SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2010-02-04 WO disclosed
US-20090275619-A1 Amide Substituted Indazole and Benzotriazole Derivatives as Poly(ADP-Ribose)Polymerase (PARP) Inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-11-05 US disclosed
US-20090048228-A1 Heterocycle Derivatives As Histone Deacetylase (Hdac) Inhibitors MSD ITALIA S.R.L. (IT) 2009-02-19 US disclosed
EP-2007733-A1 AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2008-12-31 EP disclosed
US-20080221157-A1 Amide Derivatives as Inhibitors of Histone Deacetylase ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGE (IT) 2008-09-11 US disclosed
EP-1945609-A2 AMINO ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-07-23 EP disclosed
WO-2007113596-A1 AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-10-11 WO disclosed
EP-1828171-A2 HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2007-09-05 EP disclosed
EP-1768955-A1 AMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2007-04-04 EP disclosed
WO-2007029036-A2 AMINO ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-03-15 WO disclosed
WO-2006061638-A2 HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2006-06-15 WO disclosed
WO-2006005941-A1 AMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI S.P.A. (IT) 2006-01-19 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 (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-20090048228-A1 Heterocycle Derivatives As Histone Deacetylase (Hdac) Inhibitors HDAC1, HDAC5, HDAC11 TSHR 914/4885BRD4 58/4885CREBBP 889/4885
US-20090275619-A1 Amide Substituted Indazole and Benzotriazole Derivatives as Poly(ADP-Ribose)Polymerase (PARP) Inhibitors PARP1, PARP3, PARP2 TSHR 2743/4885BRD4 231/4885CREBBP 780/4885
US-20110201657-A1 AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS PARP1, PARP3, PARP2 TSHR 2743/4885BRD4 231/4885CREBBP 780/4885
US-20100324091-A1 Pyrazolone Derivative SERPINE1, SERPINC1, TFPI TSHR 1622/4885BRD4 1335/4885CREBBP 2696/4885
US-20080221157-A1 Amide Derivatives as Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC4 TSHR 1616/4885BRD4 32/4885CREBBP 353/4885
US-20110183974-A1 1,2,4-OXADIAZOLE SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS SHH, SMO, GLI1 TSHR 931/4885BRD4 376/4885CREBBP 783/4885

“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.