SCHEMBL2908030

SCHEMBL2908030

COc1ccc(C(=O)Nc2c(C)c(C)c3c(c2C)C(c2ccc(C(C)C)cc2)C2(CCN(C)CC2)O3)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.38
KLKB1 P03952 1/20 0.38
RAB9A P51151 5/20 0.38
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ABCB1 P08183 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 2/20 0.35
OPRM1 P35372 1/20 0.35
POLB P06746 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL2904763 0.91 F10 (0.36) F10RAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL2907932 0.90 HTR1F (0.37) F10ALDH1A1MAPTLMNA
SCHEMBL2913347 0.84 RAB9A (0.42) F10RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL2907290 0.83 RAB9A (0.34) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL2905550 0.77 CCR4 (0.35) RAB9ANPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL4042757 0.77 CYP1A2 (0.35)
SCHEMBL2909184 0.76 RAB9A (0.41) RAB9ANPC1ALDH1A1SMN1; SMN2TP53
SCHEMBL4821997 0.76
SCHEMBL4821994 0.75 TACR1 (0.35) ALDH1A1MEN1KMT2AMAPTOPRM1
SCHEMBL2913757 0.75 RAB9A (0.47) F10RAB9ANPC1ALDH1A1SMN1; SMN2

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
EP-1481679-B1 ANTIDEPRESSANT TAKEDA PHARMACEUTICAL (JP) 2010-08-25 EP disclosed
EP-1268443-B1 2-HYDROXY-MUTILIN CARBAMATE DERIVATIVES FOR ANTIBACTERIAL USE SMITHKLINE BEECHAM PLC (GB) 2009-07-29 EP disclosed
EP-1323716-B1 PROMOTERS FOR THE PROLIFERATION AND DIFFERENTIATION OF STEM CELLS AND/OR NEURON PRECURSOR CELLS TAKEDA PHARMACEUTICAL (JP) 2009-01-14 EP disclosed
US-7456162-B2 Benzofuran derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-25 US disclosed
US-7101867-B2 Benzofuran derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-09-05 US disclosed
US-20050187238-A1 Benzofuran derivatives, their production and use OHKAWA SHIGENORI (JP) 2005-08-25 US disclosed
US-20050148650-A1 Antidepressant TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-07-07 US disclosed
EP-1481679-A1 ANTIDEPRESSANT Takeda Chemical Industries, Ltd. (JP) 2004-12-01 EP disclosed
EP-1136477-B1 BENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-03-10 EP disclosed
US-20040034049-A1 Promoters for the proliferation and differentiation of stem cells and/or neuron precursor cells TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-02-19 US disclosed
EP-1323716-A1 PROMOTERS FOR THE PROLIFERATION AND DIFFERENTIATION OF STEM CELLS AND/OR NEURON PRECURSOR CELLS Takeda Chemical Industries, Ltd. (JP) 2003-07-02 EP disclosed
US-6479536-B1 Benzofuran derivatives, process for the preparation of the same and uses thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-12 US disclosed
US-20020160996-A1 Benzofuran derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2002-10-31 US disclosed
EP-1136477-A1 BENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2001-09-26 EP 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 (4 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-20050148650-A1 Antidepressant AKT1S1, AKT1, AKT2 F10 2229/4885KLKB1 4851/4885RAB9A 1372/4885
US-20050187238-A1 Benzofuran derivatives, their production and use WDR1, WDR82, CBR1 F10 1877/4885KLKB1 4876/4885RAB9A 2549/4885
US-20040034049-A1 Promoters for the proliferation and differentiation of stem cells and/or neuron precursor cells NES, HAT1, PROX1 F10 3192/4885KLKB1 4883/4885RAB9A 2371/4885
US-20020160996-A1 Benzofuran derivatives, their production and use PARK7, WDR1, WHR1 F10 2640/4885KLKB1 4880/4885RAB9A 2580/4885

“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.