SCHEMBL1245893

SCHEMBL1245893

NC(=Cc1ccccc1)c1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.57
NPC1 O15118 9/20 0.57
PKM P14618 4/20 0.57
POLB P06746 2/20 0.57
MAPT P10636 5/20 0.50
LMNA P02545 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 4/20 0.48
NAPRT Q6XQN6 1/20 0.48
P4HTM Q9NXG6 1/20 0.48
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
GAA P10253 3/20 0.46
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
EGFR P00533 1/20 0.45
IGF1R P08069 1/20 0.45
IGF2R P11717 1/20 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
SCHEMBL9250759 0.80 RAB9A (0.61) RAB9ANPC1PKMPOLBMAPT
SCHEMBL20626855 0.78 MAPK1 (0.59) RAB9ANPC1PKMPOLBMAPT
SCHEMBL19380827 0.77 RAB9A (0.57) RAB9ANPC1PKMPOLBMAPT
SCHEMBL19359518 0.77 RAB9A (0.57) RAB9ANPC1PKMPOLBMAPT
SCHEMBL4809812 0.77 RAB9A (0.57) RAB9ANPC1PKMPOLBMAPT
SCHEMBL19359519 0.77 RAB9A (0.57) RAB9ANPC1PKMPOLBMAPT
SCHEMBL11993126 0.77 RAB9A (0.57) RAB9ANPC1PKMPOLBMAPT
SCHEMBL9539538 0.77 RAB9A (0.53) RAB9ANPC1PKMPOLBMAPT
SCHEMBL9885403 0.76 MAPK1 (0.53) RAB9ANPC1PKMPOLBMAPT
SCHEMBL5201027 0.76 MAPK1 (0.66) RAB9ANPC1PKMMAPTLMNA

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 62 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7148244-B2 Medicines in controlling Vpr function NIPPON SHINYAKU CO. LTD. (JP) 2006-12-12 US claimed
US-6967211-B2 Remedial agent for chronic articular rheumatism NIPPON SHINYAKU CO. LTD. (JP) 2005-11-22 US claimed
US-20040209927-A1 Medicines NIPPON SHINYAKU CO. LTD. (JP) 2004-10-21 US claimed
US-20040116481-A1 Remedial agent for chronic articular rheumatism NIPPON SHINYAKU CO. LTD. (JP) 2004-06-17 US claimed
EP-1382335-A1 MEDICINES Nippon Shinyaku Co., Ltd. (JP) 2004-01-21 EP claimed
EP-1378237-A1 REMEDIAL AGENT FOR CHRONIC ARTICULAR RHEUMATISM Nippon Shinyaku Co., Ltd. (JP) 2004-01-07 EP claimed
CN-102482704-B New peptidase substrates BIOMERIEUX (FR) 2016-02-10 CN disclosed
EP-2459735-B1 NOVEL PEPTIDASE SUBSTRATES BIOMERIEUX SA (FR) 2014-10-08 EP disclosed
EP-2459735-A2 NOVEL PEPTIDASE SUBSTRATES Biomérieux (FR) 2012-06-06 EP disclosed
WO-2011012811-A2 NOVEL PEPTIDASE SUBSTRATES bioMérieux (FR) 2011-02-03 WO disclosed
EP-1378237-A4 REMEDIAL AGENT FOR CHRONIC ARTICULAR RHEUMATISM NIPPON SHINYAKU CO LTD (JP) 2009-03-25 EP disclosed
EP-1547596-A4 MEDICINAL COMPOSITION AND METHOD FOR TREATING MALIGNANT TUMOR AND UTILIZATION THEREOF WESTERN THERAPEUTICS INST INC (JP) 2008-11-19 EP disclosed
US-7148244-B2 Medicines in controlling Vpr function NIPPON SHINYAKU CO. LTD. (JP) 2006-12-12 US disclosed
EP-0194472-B1 Fluorescence polarization assay for macromolecular hydrolases. ABBOTT LABORATORIES (US) 1992-07-22 EP disclosed
US-5037615-A Tethered pair fluorescence energy transfer indicators, chemical sensors, and method of making such sensors CORDIS CORPORATION (US) 1991-08-06 US disclosed
US-4842783-A Method of producing fiber optic chemical sensors incorporating photocrosslinked polymer gels CORDIS CORPORATION (US) 1989-06-27 US disclosed
EP-0155330-B1 AN IMPROVED FLUOROMETRIC ASSAY ABBOTT LABORATORIES (US) 1988-04-27 EP disclosed
EP-0194472-A2 Fluorescence polarization assay for macromolecular hydrolases. ABBOTT LABORATORIES (US) 1986-09-17 EP disclosed
EP-0155330-A1 An improved fluorometric assay ABBOTT LABORATORIES (US) 1985-09-25 EP disclosed
US-4495293-A LIGAND, FLUORESCER AND REAGENT SYSTEM ABBOTT LABORATORIES (US) 1985-01-22 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 (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-20040209927-A1 Medicines SARS1, ADRA1B, ADRB1 RAB9A 1223/4885NPC1 184/4885PKM 3767/4885

“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.