SCHEMBL1448028

SCHEMBL1448028

O=C(Cc1csc(-c2cccs2)c1)Nc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.54
KMT2A Q03164 8/20 0.53
MEN1 O00255 7/20 0.53
KDM4E B2RXH2 4/20 0.53
MAPT P10636 5/20 0.53
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
NPC1 O15118 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 2/20 0.50
RAB9A P51151 2/20 0.50
ALDH1A1 P00352 1/20 0.50
HSD17B10 Q99714 1/20 0.50
POLB P06746 3/20 0.46
PKM P14618 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL2199147 0.81 KMT2A (0.68) EPHX2KMT2AMEN1KDM4EMAPT
SCHEMBL6651050 0.73 MEN1 (0.74) KMT2AMEN1MAPTNPC1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL29042444 0.72 MEN1 (0.72) KMT2AMEN1MAPTNPC1SMN1; SMN2
SCHEMBL4343950 0.72 L3MBTL1 (0.72) EPHX2KMT2AMEN1KDM4ENPC1
SCHEMBL1516167 0.72 EPHX2 (1.00) EPHX2KMT2AMEN1MAPTNPC1
SCHEMBL10054999 0.72 EPHX2 (0.92) EPHX2KMT2AMEN1MAPTNPC1
Hydrochloric Acid SCHEMBL27735879 0.70 EPHX2 (0.96) EPHX2KMT2AMEN1MAPTNPC1
SCHEMBL13357542 0.69 ROCK1 (0.73) EPHX2KMT2AMEN1KDM4EMAPT
SCHEMBL7901869 0.68 PDE5A (0.44) KMT2AMEN1KDM4EMAPTLMNA
SCHEMBL11737799 0.68 AURKA (0.56) EPHX2KMT2AMEN1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7910748-B2 Thiophene-containing compound and thiophene-containing compound polymer, organic electroluminescent device, production method thereof, and image display medium FUJI XEROX CO., LTD. (JP) 2011-03-22 US disclosed
US-7902382-B2 Thiophene-containing compound and thiophene-containing compound polymer, organic electroluminescent device, production method thereof, and image display medium FUJI XEROX CO., LTD. (JP) 2011-03-08 US disclosed
US-20100133995-A1 Novel thiophene-containing compound and thiophene-containing compound polymer, organic electroluminescent device, production method thereof, and image display medium FUJI XEROX CO., LTD. (JP) 2010-06-03 US disclosed
US-20100137553-A1 Novel thiophene-containing compound and thiophene-containing compound polymer, organic electroluminescent device, production method thereof, and image display medium FUJI XEROX CO., LTD. (JP) 2010-06-03 US disclosed
US-7659410-B2 Thiophene-containing compound and thiophene-containing compound polymer, organic electroluminescent device, production method thereof, and image display medium FUJI XEROX CO., LTD. (JP) 2010-02-09 US disclosed
US-20070252519-A1 Novel thiophene-containing compound and thiophene-containing compound polymer, organic electroluminescent device, production method thereof, and image display medium FUJI XEROX CO., LTD. (JP) 2007-11-01 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 (1 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-20070252519-A1 Novel thiophene-containing compound and thiophene-containing compound polymer, organic electroluminescent device, production method thereof, and image display medium ARL1, NOD1, NLRP1 EPHX2 2733/4885KMT2A 4506/4885MEN1 3286/4885

“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.