SCHEMBL61924

SCHEMBL61924

Nc1ccc(CCc2ccncc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.70
CYP19A1 P11511 3/20 0.65
CYP3A4 P08684 2/20 0.65
CYP17A1 P05093 1/20 0.65
CYP11B1 P15538 1/20 0.65
CYP11B2 P19099 1/20 0.65
LOXL2 Q9Y4K0 3/20 0.65
MAOB P27338 4/20 0.58
MAOA P21397 2/20 0.58
ALDH1A1 P00352 2/20 0.57
TSHR P16473 2/20 0.57
MEN1 O00255 1/20 0.57
LMNA P02545 1/20 0.57
CYP2D6 P10635 1/20 0.57
MAPT P10636 1/20 0.57
CHRM1 P11229 1/20 0.57
MAPK1 P28482 1/20 0.57
KMT2A Q03164 1/20 0.57
KCNA1 Q09470 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57

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
Ammonia Solution, Strong SCHEMBL4841984 0.98 GFER (0.67) GFERCYP19A1CYP3A4CYP17A1CYP11B1
SCHEMBL62020 0.85 CYP17A1 (0.87) GFERCYP19A1CYP3A4CYP17A1CYP11B1
SCHEMBL8164156 0.84 GFER (1.00) GFERCYP19A1CYP3A4LOXL2MAOB
SCHEMBL187043 0.84 GFER (1.00) GFERCYP19A1CYP3A4LOXL2MAOB
SCHEMBL3482833 0.84 GFER (1.00) GFERCYP19A1CYP3A4LOXL2MAOB
SCHEMBL151822 0.84 LOXL2 (0.68) CYP3A4CYP17A1CYP11B1LOXL2ALDH1A1
Water SCHEMBL31124597 0.81 LOXL2 (0.65) CYP3A4CYP17A1CYP11B1LOXL2ALDH1A1
Water SCHEMBL31124596 0.81 LOXL2 (0.65) CYP3A4CYP17A1CYP11B1LOXL2ALDH1A1
Hydrochloric Acid SCHEMBL8653872 0.81 GFER (0.93) GFERCYP19A1CYP3A4LOXL2MAOB
Ammonia Solution, Strong SCHEMBL9306930 0.81 LOXL2 (0.65) CYP3A4CYP17A1CYP11B1LOXL2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10300155-B2 Alpha-synuclein ligands WASHINGTON UNIVERSITY (US) 2019-05-28 US disclosed
EP-3354646-A1 ISOINDOLINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER Celgene Corporation (US) 2018-08-01 EP disclosed
EP-2985281-B1 ISOINDOLINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER CELGENE CORP (US) 2017-12-27 EP disclosed
US-9796698-B2 Isoindoline compounds and methods of their use CELGENE CORPORATION (US) 2017-10-24 US disclosed
US-20170189566-A1 ALPHA-SYNUCLEIN LIGANDS WASHINGTON UNIVERSITY (US) 2017-07-06 US disclosed
US-20170088538-A1 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CELGENE CORPORATION 2017-03-30 US disclosed
US-9550766-B2 Isoindoline compounds and methods of their use CELGENE CORPORATION (US) 2017-01-24 US disclosed
US-20160115161-A1 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CELGENE CORPORATION 2016-04-28 US disclosed
EP-2985281-A2 ISOINDOLINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER Celgene Corporation (US) 2016-02-17 EP disclosed
US-9227954-B2 Isoindoline compounds and methods of their use CELGENE CORPORATION (US) 2016-01-05 US disclosed
EP-1470122-B1 RHO-KINASE INHIBITORS BAYER PHARMACEUTICALS CORP (US) 2007-12-19 EP disclosed
WO-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed
US-20050209261-A1 Rho-kinase inhibitors BAYER HEALTHCARE LLC 2005-09-22 US disclosed
US-6943172-B2 Rho-kinase inhibitors BAYER PHARMACEUTICALS CORPORATION (US) 2005-09-13 US disclosed
US-20050192304-A1 Rho-kinase inhibitors BAYER HEALTHCARE LLC 2005-09-01 US disclosed
US-6924290-B2 Rho-kinase inhibitors BAYER PHARMACEUTICALS CORPORATION (US) 2005-08-02 US disclosed
US-20040002508-A1 Antitumor agents; anticancer agents; sexual disorders; cardiovascular disorders BAYER CORPORATION 2004-01-01 US disclosed
US-20040002507-A1 Rho-kinase inhibitors BAYER CORPORATION (US) 2004-01-01 US disclosed
EP-0638553-A1 Carboxylic acid amides having a terminal carboxylic acid group as aggregation inhibiting drugs Dr. Karl Thomae GmbH (DE) 1995-02-15 EP disclosed
EP-0524846-A1 2-(Piperidin-1-yl)ethanol derivatives, their preparation and their use in therapeutics SYNTHELABO (FR) 1993-01-27 EP 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 (8 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-20040002507-A1 Rho-kinase inhibitors CIT, ROCK1, ROCK2 GFER 3825/4885CYP19A1 462/4885CYP3A4 2878/4885
US-20170088538-A1 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CPT1A, CYP11B2, NPC1 GFER 4507/4885CYP19A1 738/4885CYP3A4 102/4885
US-10300155-B2 Alpha-synuclein ligands SNCA, PARK7, LRRK2 GFER 3408/4885CYP19A1 4872/4885CYP3A4 4715/4885
US-20050209261-A1 Rho-kinase inhibitors CIT, ROCK1, ROCK2 GFER 3825/4885CYP19A1 462/4885CYP3A4 2878/4885
US-20040002508-A1 Antitumor agents; anticancer agents; sexual disorders; cardiovascular disorders CIT, ROCK1, RHOT2 GFER 4398/4885CYP19A1 144/4885CYP3A4 2456/4885
US-20160115161-A1 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CPT1A, CYP11B2, NPC1 GFER 4507/4885CYP19A1 738/4885CYP3A4 102/4885
US-20170189566-A1 ALPHA-SYNUCLEIN LIGANDS SNCA, PARK7, LRRK2 GFER 3408/4885CYP19A1 4872/4885CYP3A4 4715/4885
US-20050192304-A1 Rho-kinase inhibitors CIT, ROCK1, ROCK2 GFER 3825/4885CYP19A1 462/4885CYP3A4 2878/4885

“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.