Sugi Predict

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SCHEMBL2914394

SCHEMBL2914394

COc1ccc(C(C(N)=O)c2c(C)c(C)c3oc(C)c(-c4ccc(C(C)C)cc4)c3c2C)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ NPC1 O15118 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ NQO2 P16083 2/20 0.33
▸ MAPT P10636 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ GPR35 Q9HC97 1/20 0.32
▸ IKBKB O14920 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
SCHEMBL27616643 0.81 MAPT (0.40) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL2904869 0.78 MAPT (0.41) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL2911974 0.77 KDM4E (0.37) ALOX5RAB9AMEN1KMT2AALDH1A1
SCHEMBL2911971 0.77 RAB9A (0.44) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL2914392 0.75 CACNA1H (0.47) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL2904866 0.74 GPR35 (0.40) ALDH1A1SMN1; SMN2MAPTKDM4EPOLB
SCHEMBL2910112 0.73 SMN1; SMN2 (0.36) RAB9AKMT2ANPC1ALDH1A1SMN1; SMN2
SCHEMBL2911517 0.72 NPC1 (0.41) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL2911475 0.71 NPC1 (0.40) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL4046157 0.71 BCL2 (0.41) MEN1KMT2AALDH1A1MAPTLMNA

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 ALOX5 2621/4885RAB9A 1372/4885MEN1 2613/4885
US-20060241168-A1 Antidepressant AKT1S1, AKT1, AKT2 ALOX5 2621/4885RAB9A 1372/4885MEN1 2613/4885
US-20090012081-A1 Agents for promoting the proliferation or differentiation of stem cells or neural progenitor cells NES, MKI67, CCNO ALOX5 1602/4885RAB9A 2438/4885MEN1 2906/4885
US-20050187238-A1 Benzofuran derivatives, their production and use WDR1, WDR82, CBR1 ALOX5 1230/4885RAB9A 2549/4885MEN1 2912/4885
US-20040034049-A1 Promoters for the proliferation and differentiation of stem cells and/or neuron precursor cells NES, HAT1, PROX1 ALOX5 2662/4885RAB9A 2371/4885MEN1 3718/4885
US-20020160996-A1 Benzofuran derivatives, their production and use PARK7, WDR1, WHR1 ALOX5 1581/4885RAB9A 2580/4885MEN1 3777/4885

“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.