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SCHEMBL2913757

SCHEMBL2913757

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.47
▸ NPC1 O15118 7/20 0.47
▸ SMN1; SMN2 Q16637 6/20 0.43
▸ LMNA P02545 1/20 0.43
▸ AHR P35869 1/20 0.43
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ TP53 P04637 4/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ F10 P00742 1/20 0.38
▸ MAPT P10636 4/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38

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
SCHEMBL2905508 0.92 LMNA (0.44) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL2913347 0.90 RAB9A (0.42) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL2912943 0.87 PKM (0.49) RAB9ANPC1SMN1; SMN2LMNAAHR
SCHEMBL2947678 0.84 KDM4E (0.39) RAB9ANPC1LMNAAHRMEN1
SCHEMBL4088002 0.82 CYP2C19 (0.36) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3599858 0.82 ALDH1A1 (0.44) RAB9ASMN1; SMN2KMT2AHPGDALDH1A1
SCHEMBL27597976 0.82 MAPT (0.37) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL2909184 0.81 RAB9A (0.41) RAB9ANPC1SMN1; SMN2LMNATP53
SCHEMBL3590239 0.81 KCNQ2 (0.35) SMN1; SMN2LMNAMEN1KMT2AKDM4E
SCHEMBL2913465 0.81 NPC1 (0.47) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1481679-B1 ANTIDEPRESSANT TAKEDA PHARMACEUTICAL (JP) 2010-08-25 — — EP disclosed
US-7750037-B2 Antidepressant TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-06 — — US 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-20090012081-A1 Agents for promoting the proliferation or differentiation of stem cells or neural progenitor cells TAKEDA PHARMACEUTICAL COMPANY LTD. (JP) 2009-01-08 — — US disclosed
US-7456162-B2 Benzofuran derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-25 — — US disclosed
US-20060241168-A1 Antidepressant OHKAWA SHIGENORI 2006-10-26 — — 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 (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-20050148650-A1 Antidepressant AKT1S1, AKT1, AKT2 RAB9A 1372/4885NPC1 2368/4885SMN1; SMN2 3766/4885
US-20060241168-A1 Antidepressant AKT1S1, AKT1, AKT2 RAB9A 1372/4885NPC1 2368/4885SMN1; SMN2 3766/4885
US-20090012081-A1 Agents for promoting the proliferation or differentiation of stem cells or neural progenitor cells NES, MKI67, CCNO RAB9A 2438/4885NPC1 2467/4885SMN1; SMN2 376/4885
US-20050187238-A1 Benzofuran derivatives, their production and use WDR1, WDR82, CBR1 RAB9A 2549/4885NPC1 835/4885SMN1; SMN2 54/4885
US-20040034049-A1 Promoters for the proliferation and differentiation of stem cells and/or neuron precursor cells NES, HAT1, PROX1 RAB9A 2371/4885NPC1 2378/4885SMN1; SMN2 528/4885
US-20020160996-A1 Benzofuran derivatives, their production and use PARK7, WDR1, WHR1 RAB9A 2580/4885NPC1 428/4885SMN1; SMN2 16/4885

“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.