SCHEMBL4969907

SCHEMBL4969907

Cc1ccc(C2c3c(C)c(NCc4ccccc4)c(C)c(C)c3OC2(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.35
IDO1 P14902 1/20 0.33
GRM5 P41594 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
HPGD P15428 2/20 0.32
ABCB1 P08183 3/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
USP2 O75604 1/20 0.32
CA12 O43570 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
ATM Q13315 1/20 0.32
CA9 Q16790 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ACHE P22303 1/20 0.31
TSHR P16473 1/20 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
SCHEMBL2912430 0.89 NPBWR1 (0.36) SMN1; SMN2IDO1ABCB1ALDH1A1MAPT
SCHEMBL2911151 0.89 KMT2A (0.34) HTTSMN1; SMN2HPGDALDH1A1LMNA
Hydrochloric Acid SCHEMBL2910240 0.88 NPBWR1 (0.36) SMN1; SMN2IDO1ALDH1A1MAPTL3MBTL1
SCHEMBL2905966 0.87 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1LMNAMAPTCA12
SCHEMBL2909609 0.85 SMN1; SMN2 (0.32) HTTSMN1; SMN2KDM4ELMNAMAPT
SCHEMBL4969221 0.82 POLB (0.43) HTTSMN1; SMN2HPGDKDM4EALDH1A1
SCHEMBL3600851 0.81 HTT (0.40) HTTSMN1; SMN2IDO1NPSR1HPGD
Hydrochloric Acid SCHEMBL2905880 0.81 POLB (0.42) HTTSMN1; SMN2HPGDKDM4EALDH1A1
Hydrochloric Acid SCHEMBL2914481 0.80 LMNA (0.45) HTTSMN1; SMN2NPSR1HPGDKDM4E
SCHEMBL2911751 0.79 RAB9A (0.36) SMN1; SMN2KDM4EALDH1A1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1408036-B1 PROCESS FOR PRODUCING BENZOFURAN DERIVATIVE TAKEDA PHARMACEUTICAL (JP) 2008-08-27 EP claimed
US-7323577-B2 Process for producing benzofuran derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-29 US claimed
US-20060142598-A1 Process for producing benzofuran derivative TAWADA HIROYUKI 2006-06-29 US claimed
US-20040210066-A1 Process for producing benzofuran derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-10-21 US claimed
EP-1408036-A1 PROCESS FOR PRODUCING BENZOFURAN DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2004-04-14 EP claimed
EP-1408036-B1 PROCESS FOR PRODUCING BENZOFURAN DERIVATIVE TAKEDA PHARMACEUTICAL (JP) 2008-08-27 EP disclosed
US-7323577-B2 Process for producing benzofuran derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-29 US disclosed
US-20060142598-A1 Process for producing benzofuran derivative TAWADA HIROYUKI 2006-06-29 US disclosed
US-7034166-B2 Process for producing benzofuran derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-25 US disclosed
US-20040210066-A1 Process for producing benzofuran derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-10-21 US disclosed
EP-1408036-A1 PROCESS FOR PRODUCING BENZOFURAN DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2004-04-14 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 (2 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-20040210066-A1 Process for producing benzofuran derivative IWS1, HAT1, BRD1 HTT 1464/4885SMN1; SMN2 3784/4885IDO1 1230/4885
US-20060142598-A1 Process for producing benzofuran derivative AHR, CBR3, HAT1 HTT 1140/4885SMN1; SMN2 3801/4885IDO1 1463/4885

“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.