SCHEMBL10293479

SCHEMBL10293479

COC(=O)c1cc(N)ccc1N1CCN(S(C)(=O)=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.48
▸ NPSR1 Q6W5P4 4/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ HPGD P15428 4/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ KDM4E B2RXH2 6/20 0.48
▸ MAPT P10636 4/20 0.48
▸ HSD17B10 Q99714 3/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ GFER P55789 1/20 0.48
▸ YWHAG P61981 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ USP2 O75604 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ POLB P06746 2/20 0.45

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
SCHEMBL14875455 0.84 KDM4E (0.54) ALDH1A1NPSR1SMN1; SMN2HPGDMAPK1
SCHEMBL30664595 0.84 KDM4E (0.54) ALDH1A1NPSR1SMN1; SMN2HPGDMAPK1
SCHEMBL10293427 0.82 KDM4E (0.46) ALDH1A1NPSR1SMN1; SMN2HPGDMAPK1
SCHEMBL10261801 0.82 HTT (0.68) ALDH1A1NPSR1SMN1; SMN2HPGDMAPK1
SCHEMBL10293476 0.81 ALDH1A1 (0.55) ALDH1A1NPSR1SMN1; SMN2HPGDMAPK1
SCHEMBL10293457 0.81 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2KDM4EMAPTMEN1
SCHEMBL31454335 0.80 MAPT (0.56) ALDH1A1SMN1; SMN2MAPK1KDM4EMAPT
SCHEMBL422548 0.80 MAPT (0.56) ALDH1A1SMN1; SMN2MAPK1KDM4EMAPT
SCHEMBL853123 0.79 ALDH1A1 (0.54) ALDH1A1NPSR1SMN1; SMN2HPGDMAPK1
SCHEMBL28843901 0.79 ALDH1A1 (0.52) ALDH1A1NPSR1SMN1; SMN2HPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9334282-B2 Macrocyclic indoles as hepatitis C virus inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2016-05-10 — — US disclosed
US-9334282-B2 Macrocyclic indoles as hepatitis C virus inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2016-05-10 — — US disclosed
US-20130267511-A1 Macrocyclic Indoles as Hepatitis C Virus Inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2013-10-10 — — US disclosed
US-20130267511-A1 Macrocyclic Indoles as Hepatitis C Virus Inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2013-10-10 — — US disclosed
US-8524716-B2 Macrocyclic indoles as hepatitis C virus inhibitors JANSSEN R&D IRELAND (IE) 2013-09-03 — — US disclosed
US-8524716-B2 Macrocyclic indoles as hepatitis C virus inhibitors JANSSEN R&D IRELAND (IE) 2013-09-03 — — US disclosed
EP-2238142-B1 Macrocyclic indoles as hepatitis c virus inhibitors JANSSEN R & D IRELAND (IE) 2012-07-04 — — EP disclosed
US-20100273792-A1 MACROCYCLIC INDOLES AS HEPATITIS C VIRUS INHIBITORS TIBOTEC PHARMACEUTICALS LTD. 2010-10-28 — — US disclosed
US-20100273792-A1 MACROCYCLIC INDOLES AS HEPATITIS C VIRUS INHIBITORS TIBOTEC PHARMACEUTICALS LTD. 2010-10-28 — — 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 (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-20130267511-A1 Macrocyclic Indoles as Hepatitis C Virus Inhibitors IDO1, HCCS, IDO2 ALDH1A1 802/4885NPSR1 338/4885SMN1; SMN2 4309/4885
US-20100273792-A1 MACROCYCLIC INDOLES AS HEPATITIS C VIRUS INHIBITORS IDO1, HCCS, IDO2 ALDH1A1 802/4885NPSR1 338/4885SMN1; SMN2 4309/4885

“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.

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