SCHEMBL5853213

SCHEMBL5853213

Cc1cc2c(/C=C/C(=O)O)cccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.48
MAPT P10636 7/20 0.45
LMNA P02545 6/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
PAX8 Q06710 1/20 0.45
NFKB1 P19838 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CYP1A2 P05177 2/20 0.42
GAA P10253 1/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
HTT P42858 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 2/20 0.42
PKM P14618 1/20 0.42
TDO2 P48775 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 4/20 0.40

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
SCHEMBL5853217 1.00 PARP1 (0.48) PARP1MAPTLMNASMN1; SMN2PAX8
SCHEMBL5850794 0.84 ALDH1A1 (0.44) MAPTLMNASMN1; SMN2PAX8CA1
SCHEMBL5850795 0.84 ALDH1A1 (0.44) MAPTLMNASMN1; SMN2PAX8CA1
SCHEMBL5851501 0.78 APP (0.47) MAPTLMNASMN1; SMN2PAX8NPC1
SCHEMBL5851498 0.78 APP (0.47) MAPTLMNASMN1; SMN2PAX8NPC1
SCHEMBL13646763 0.77 CYP1A2 (0.50) PARP1LMNACYP1A2GAAALDH1A1
SCHEMBL8746630 0.74 PARP1 (0.69) PARP1MAPTLMNANFKB1CA1
SCHEMBL11138672 0.74 PARP1 (0.69) PARP1MAPTLMNANFKB1CA1
SCHEMBL1871961 0.74 PARP1 (0.49) PARP1MAPTLMNASMN1; SMN2NFKB1
SCHEMBL18000213 0.74 GAA (0.46) PARP1MAPTLMNACYP1A2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7153852-B2 Indole compounds, process for producing the same and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-12-26 US disclosed
US-7098234-B2 Indole derivatives, process for preparation of the same and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2006-08-29 US disclosed
US-20050004096-A1 Indole derivatives, process for producing the same and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-01-06 US disclosed
US-20040180885-A1 Indole derivatives, process for preparation of the same and use thereof ONO PHARMACEUTICAL CO., LTD. 2004-09-16 US disclosed
EP-1424325-A1 INDOLE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-06-02 EP disclosed
US-6743793-B2 DP RECEPTOR ANTAGONIST; PROSTAGLANDIN D ONO PHARMACEUTICAL CO., LTD. (JP) 2004-06-01 US disclosed
US-20030176400-A1 Indole derivatives, process for preparation of the same and use thereof ONO PHARMACEUTICALS CO., LTD. (JP) 2003-09-18 US disclosed
EP-1262475-A1 INDOLE DERIVATIVES, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2002-12-04 EP disclosed
EP-0715627-B1 INDOLE DERIVATIVES AS THROMBOXANE A2 ANTAGONISTS PFIZER LTD (GB) 1998-09-09 EP disclosed
US-5744488-A 1-CARBOXYALKYL-3-ALKYL OR PHENYL-5-ORGANOSULFONAMIDE OR -AMIDE INDOLES; ATHERSCLEROSIS; ANGINA; PREVENTING ANGIOPLASTY OCCULSION; THROMBOXANE SYNTHETASE INHIBITORS PFIZER INC. (US) 1998-04-28 US disclosed
EP-0715627-A1 INDOLE DERIVATIVES AS THROMBOXANE A2 ANTAGONISTS Pfizer Limited (GB) 1996-06-12 EP disclosed
WO-1995006046-A1 INDOLE DERIVATIVES AS THROMBOXANE A2 ANTAGONISTS PFIZER LIMITED (GB) 1995-03-02 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-20030176400-A1 Indole derivatives, process for preparation of the same and use thereof IDO1, KIT, ITCH PARP1 2274/4885MAPT 617/4885LMNA 4408/4885
US-20050004096-A1 Indole derivatives, process for producing the same and drugs containing the same as the active ingredient IDO1, IDO2, PTGIR PARP1 3440/4885MAPT 1213/4885LMNA 4639/4885
US-20040180885-A1 Indole derivatives, process for preparation of the same and use thereof IDO1, KIT, ITCH PARP1 2274/4885MAPT 617/4885LMNA 4408/4885

“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.