SCHEMBL17544835

SCHEMBL17544835

CC(=O)Nc1cc2c(s1)CCN(C(=O)CCl)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.42
KDM1A O60341 5/20 0.37
MCHR1 Q99705 1/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
KCNQ2 O43526 1/20 0.35
F2 P00734 1/20 0.35
TPSAB1 Q15661 1/20 0.35
TPSD1 Q9BZJ3 1/20 0.35
TPSG1 Q9NRR2 1/20 0.35
GPX4 P36969 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TSHR P16473 1/20 0.34
MITF O75030 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34

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
SCHEMBL31166095 0.79 HDAC6 (0.40) HDAC6MCHR1KCNQ2F2TPSAB1
SCHEMBL20852601 0.79 PRMT5 (0.41) HDAC6GAAPKMALOX15HSD17B10
SCHEMBL17545232 0.78 ESR2 (0.50) HDAC6RAB9ANPC1KDM4E
SCHEMBL17545235 0.74 MEN1 (0.42) RAB9ANPC1F2TPSAB1TPSD1
SCHEMBL30554642 0.70 DAO (0.50) RAB9ANPC1GAAPKMALOX15
SCHEMBL6246731 0.70 ALDH1A1 (0.51) RAB9ANPC1GAAPKMALOX15
SCHEMBL13739512 0.70 GAA (0.42) RAB9ANPC1GAAPKMALOX15
SCHEMBL19609239 0.70 HDAC6 (0.39) HDAC6KDM1AF2TPSAB1TPSD1
SCHEMBL22481607 0.70 HSP90AA1 (0.47) RAB9ANPC1GPX4PKMTSHR
SCHEMBL17552163 0.70 MEN1 (0.40) HDAC6RAB9AF2TPSAB1TPSD1

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-3186232-B1 P38 MAP KINASE INHIBITING INDANYL UREA COMPOUNDS TORRENT PHARMACEUTICALS LTD (IN) 2019-03-27 EP disclosed
EP-3186232-B1 P38 MAP KINASE INHIBITING INDANYL UREA COMPOUNDS TORRENT PHARMACEUTICALS LTD (IN) 2019-03-27 EP disclosed
US-9963463-B2 Urea-substituted indanes as P38 map kinase inhibitors TORRENT PHARMACEUTICALS LIMITED (IN) 2018-05-08 US disclosed
US-9963463-B2 Urea-substituted indanes as P38 map kinase inhibitors TORRENT PHARMACEUTICALS LIMITED (IN) 2018-05-08 US disclosed
US-9963463-B2 Urea-substituted indanes as P38 map kinase inhibitors TORRENT PHARMACEUTICALS LIMITED (IN) 2018-05-08 US disclosed
US-20170247390-A1 P38 MAP KINASE INHIBITING INDANYL UREA COMPOUNDS TORRENT PHARMACEUTICALS LIMITED (IN) 2017-08-31 US disclosed
US-20170247390-A1 P38 MAP KINASE INHIBITING INDANYL UREA COMPOUNDS TORRENT PHARMACEUTICALS LIMITED (IN) 2017-08-31 US disclosed
US-20170247390-A1 P38 MAP KINASE INHIBITING INDANYL UREA COMPOUNDS TORRENT PHARMACEUTICALS LIMITED (IN) 2017-08-31 US disclosed
EP-3186232-A1 P38 MAP KINASE INHIBITING INDANYL UREA COMPOUNDS Torrent Pharmaceuticals Limited (IN) 2017-07-05 EP disclosed
WO-2016030852-A1 P38 MAP KINASE INHIBITING INDANYL UREA COMPOUNDS TORRENT PHARMACEUTICALS LIMITED (IN) 2016-03-03 WO disclosed
WO-2016030852-A1 P38 MAP KINASE INHIBITING INDANYL UREA COMPOUNDS TORRENT PHARMACEUTICALS LIMITED (IN) 2016-03-03 WO 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-20170247390-A1 P38 MAP KINASE INHIBITING INDANYL UREA COMPOUNDS MAPK1, MAP3K11, MAPK3 HDAC6 354/4885KDM1A 3920/4885MCHR1 3075/4885

“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.