SCHEMBL658987

SCHEMBL658987

Cc1cc(NCc2ccccc2)c(C)c2c1OC(C)(C)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
KDM4E B2RXH2 4/20 0.38
HPGD P15428 3/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
APEX1 P27695 1/20 0.36

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
SCHEMBL658270 0.79 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2MEN1KMT2ACYP1A2
Hydrochloric Acid SCHEMBL8716960 0.78 KDM4E (0.39) ALDH1A1SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL3589770 0.74 KDM4E (0.38) ALDH1A1SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL8877823 0.70 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL8713990 0.70 KMT2A (0.41) ALDH1A1SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL11883955 0.68 KMT2A (0.50) ALDH1A1SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL657235 0.67 HSD17B10 (0.41) SMN1; SMN2MEN1KMT2ACYP1A2CYP3A4
SCHEMBL14178701 0.64 HIF1A (0.40) ALDH1A1SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL3600851 0.64 HTT (0.40) SMN1; SMN2MEN1KMT2ACYP1A2CYP3A4
SCHEMBL3440796 0.63 ADRA2C (0.72) ALDH1A1SMN1; SMN2MEN1KMT2ACYP1A2

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
CN-103965147-B Benzofuran derivatives 武田药品工业株式会社 2016-08-24 CN disclosed
US-8957069-B2 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-17 US disclosed
EP-2781513-A1 Benzofuran derivatives Takeda Pharmaceutical Company Limited (JP) 2014-09-24 EP disclosed
EP-2406243-B1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2014-05-07 EP disclosed
US-8288390-B2 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
US-20120232096-A1 BENZOFURAN DERIVATIVES TSUKAMOTO TETSUYA (JP) 2012-09-13 US disclosed
US-20120232095-A1 BENZOFURAN DERIVATIVES TSUKAMOTO TETSUYA (JP) 2012-09-13 US disclosed
US-20120046277-A1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-23 US disclosed
EP-2406243-A1 BENZOFURAN DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2012-01-18 EP disclosed
WO-2010104194-A1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 WO disclosed
US-20100234357-A1 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 US 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-20120232096-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 ALDH1A1 618/4885SMN1; SMN2 2846/4885MEN1 2298/4885
US-20100234357-A1 Benzofuran derivatives AHR, BRPF3, CBR3 ALDH1A1 618/4885SMN1; SMN2 2846/4885MEN1 2298/4885
US-20120232095-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 ALDH1A1 618/4885SMN1; SMN2 2846/4885MEN1 2298/4885
US-20120046277-A1 BENZOFURAN DERIVATIVES BRPF3, BRD1, CBR3 ALDH1A1 1010/4885SMN1; SMN2 2862/4885MEN1 2740/4885

“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.