SCHEMBL2995349

SCHEMBL2995349

O=S1(=O)CCN(Cc2cc(NCC3CCNCC3)c3[nH]c(-c4ccccc4)cc3c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.37
ACHE P22303 2/20 0.36
BACE1 P56817 1/20 0.36
TRIM58 Q8NG06 2/20 0.35
ACP1 P24666 1/20 0.35
PIM2 Q9P1W9 2/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
PIM1 P11309 1/20 0.34
HDAC1 Q13547 1/20 0.34
CHEK1 O14757 1/20 0.34
DHODH Q02127 1/20 0.34
CSF1R P07333 1/20 0.33
PLAT P00750 1/20 0.33
KDM1A O60341 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
SCHEMBL1897985 0.90 CSF1R (0.43) VCPACHEBACE1ACP1DRD2
SCHEMBL31043039 0.90 CSF1R (0.43) VCPACHEBACE1ACP1DRD2
SCHEMBL3415437 0.87 VCP (0.40) VCPACP1DRD2DRD4DRD3
SCHEMBL29838033 0.86 CSF1R (0.40) VCPACHEBACE1ACP1DHODH
SCHEMBL25430443 0.81 CSF1R (0.43) ACHEBACE1HDAC1CSF1R
SCHEMBL1897623 0.79 CSF1R (0.42) VCPDRD2DRD4DRD3HDAC1
SCHEMBL29386984 0.79 CSF1R (0.42) VCPDRD2DRD4DRD3HDAC1
SCHEMBL2995348 0.79 VCP (0.35) VCPACP1DRD2DRD4DRD3
SCHEMBL27808389 0.79 ADORA2B (0.37) VCPDRD2DRD4DRD3DHODH
SCHEMBL3419136 0.78 CSF1R (0.41) CSF1RKDM1A

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 14 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-8436038-B2 Indole and indazole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2013-05-07 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 VCP 3548/4885ACHE 847/4885BACE1 1613/4885
US-20100197673-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, NFATC1 VCP 3548/4885ACHE 847/4885BACE1 1613/4885
US-20150038500-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING OPHTHALMIC DISORDERS AQP1, EYA3, SF1 VCP 2813/4885ACHE 255/4885BACE1 513/4885

“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.