SCHEMBL4585665

SCHEMBL4585665

c1ccc2c(-c3cnc(-c4cccc5ccccc45)s3)cccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.48
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
LMNA P02545 1/20 0.43
TGFBR1 P36897 1/20 0.42
ALOX15 P16050 1/20 0.42
DCTPP1 Q9H773 1/20 0.42
PTPN1 P18031 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTPN11 Q06124 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 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
SCHEMBL12914319 0.97 HTR2C (0.46) HTR2CKDM4EALDH1A1HPGDHSD17B10
SCHEMBL30987375 0.90 PTPN1 (0.50) HTR2CKDM4EALDH1A1HPGDHSD17B10
SCHEMBL28745186 0.90 PTPN1 (0.50) HTR2CKDM4EALDH1A1HPGDHSD17B10
SCHEMBL30987401 0.88 KDM4E (0.48) HTR2CKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11991169 0.85 KDM4E (0.46) HTR2CKDM4EALDH1A1HPGDHSD17B10
SCHEMBL23212839 0.84 RAB9A (0.47) HTR2CKDM4EALDH1A1HPGDHSD17B10
SCHEMBL30355255 0.84 RAB9A (0.47) HTR2CKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4600855 0.81 HTR2C (0.47) HTR2CKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9508351 0.81 ALDH1A1 (0.49) HTR2CKDM4EALDH1A1HPGDHSD17B10
SCHEMBL31063632 0.81 ALDH1A1 (0.51) KDM4EALDH1A1HPGDHSD17B10TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080166594-A1 BENZOTHIOPHENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE MAKING USE OF THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2008-07-10 US disclosed
US-20080102311-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2008-05-01 US disclosed
EP-1894923-A1 BENZOTHIOPHENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE MAKING USE OF THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2008-03-05 EP disclosed
US-20070292714-A1 Aromatic Amine Derivative and Organic Electroluminescent Device Using Same IDEMITSU KOSAN CO., LTD. (JP) 2007-12-20 US disclosed
EP-1790631-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2007-05-30 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 (3 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-20080102311-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME L1CAM, EML4, EBPL HTR2C 3925/4885KDM4E 630/4885ALDH1A1 675/4885
US-20070292714-A1 Aromatic Amine Derivative and Organic Electroluminescent Device Using Same TYR, DDC, PNMT HTR2C 1768/4885KDM4E 280/4885ALDH1A1 423/4885
US-20080166594-A1 BENZOTHIOPHENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE MAKING USE OF THE SAME CYBA, BPNT1, TYR HTR2C 2969/4885KDM4E 433/4885ALDH1A1 70/4885

“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.