SCHEMBL3000153

SCHEMBL3000153

O=C1CN(Cc2cc(NCC3CCOCC3)c3[nH]c(-c4ccccc4)cc3c2)CCN1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 2/20 0.41
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 2/20 0.39
VCP P55072 1/20 0.39
PRMT5 O14744 1/20 0.36
GRM5 P41594 1/20 0.35
PIK3R1 P27986 1/20 0.35
PIK3CA P42336 1/20 0.35
NPY5R Q15761 1/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
KCNH3 Q9ULD8 1/20 0.34
SLC2A1 P11166 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
TNIK Q9UKE5 1/20 0.33

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
SCHEMBL3011705 0.88 VCP (0.41) CSF1RKDM4EALDH1A1POLBVCP
SCHEMBL31043039 0.84 CSF1R (0.43) CSF1RKDM4EALDH1A1POLBVCP
SCHEMBL1897985 0.84 CSF1R (0.43) CSF1RKDM4EALDH1A1POLBVCP
SCHEMBL29936251 0.84 CSF1R (0.45) CSF1RKDM4EALDH1A1POLBNPY5R
SCHEMBL25430443 0.82 CSF1R (0.43) CSF1RKDM4EALDH1A1POLBNPY5R
SCHEMBL28808590 0.82 VCP (0.43) VCPPRMT5GRM5JAK2JAK1
SCHEMBL29838033 0.80 CSF1R (0.40) CSF1RKDM4EALDH1A1POLBVCP
SCHEMBL27800857 0.79 CSF1R (0.42) CSF1RKDM4EALDH1A1POLBNPY5R
SCHEMBL2995349 0.78 VCP (0.37) CSF1RVCP
SCHEMBL3005858 0.77 KDM4E (0.40) CSF1RKDM4EALDH1A1POLBVCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2178870-B1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG CHEMICAL LTD (KR) 2018-09-19 EP claimed
US-20150038500-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING OPHTHALMIC DISORDERS CATHOLIC UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2015-02-05 US claimed
US-20100197673-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD (KR) 2010-08-05 US claimed
EP-2178870-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG Life Sciences Ltd. (KR) 2010-04-28 EP claimed
WO-2009025478-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2009-02-26 WO claimed
EP-2178870-B1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG CHEMICAL LTD (KR) 2018-09-19 EP disclosed
US-9000028-B2 Indole and indazole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2015-04-07 US disclosed
US-20150038500-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING OPHTHALMIC DISORDERS CATHOLIC UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2015-02-05 US disclosed
US-20130237532-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2013-09-12 US disclosed
US-8436038-B2 Indole and indazole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2013-05-07 US disclosed
US-20100197673-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD (KR) 2010-08-05 US disclosed
EP-2178870-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG Life Sciences Ltd. (KR) 2010-04-28 EP disclosed
WO-2009025478-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2009-02-26 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 (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-20130237532-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, NFATC1 CSF1R 2910/4885KDM4E 4416/4885ALDH1A1 1971/4885
US-20100197673-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, NFATC1 CSF1R 2910/4885KDM4E 4416/4885ALDH1A1 1971/4885
US-20150038500-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING OPHTHALMIC DISORDERS AQP1, EYA3, SF1 CSF1R 3822/4885KDM4E 2455/4885ALDH1A1 627/4885

“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.