SCHEMBL2985650

SCHEMBL2985650

Cc1onc(-c2ccccc2)c1-c1cc2c3ccccc3ccc2n1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.48
PTGS1 P23219 3/20 0.48
MAPT P10636 5/20 0.44
NPSR1 Q6W5P4 4/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 2/20 0.43
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
XBP1 P17861 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MT-CO2 P00403 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL2998583 0.88 TSHR (0.45) PTGS2PTGS1MAPTNPSR1KMT2A
SCHEMBL5121614 0.86 GP6 (0.38) PTGS2PTGS1MAPTNPSR1KMT2A
SCHEMBL13265998 0.85 MAPT (0.37) PTGS2PTGS1MAPTNPSR1KMT2A
SCHEMBL12076787 0.84 CYP1A2 (0.45) PTGS2PTGS1MAPTNPSR1KMT2A
SCHEMBL2993250 0.75 NPC1 (0.47) PTGS2MAPTKMT2AKDM4E
SCHEMBL19754255 0.72 BRD4 (0.43) ALDH1A1KDM4EUSP2TSHRMAPK1
SCHEMBL19754233 0.70 BRD4 (0.43) KMT2AALDH1A1KDM4EUSP2TSHR
SCHEMBL22214581 0.70 MAPT (0.38) MAPTALDH1A1KDM4ETSHRMAPK1
SCHEMBL19754245 0.70 BRD4 (0.43) ALDH1A1KDM4EUSP2TSHRMAPK1
SCHEMBL7445944 0.69 PTGS2 (0.52) PTGS2PTGS1MAPTNPSR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1809601-B1 COMPOUNDS FOR ALZHEIMER'S DISEASE MANFREDI JOHN (US) 2014-09-10 EP claimed
US-9216966-B2 Compounds for Alzheimer's disease Manfredi, John (US) 2015-12-22 US disclosed
US-9034871-B2 Compounds for Alzheimer's disease Manfredi, John (US) 2015-05-19 US disclosed
EP-1809601-B1 COMPOUNDS FOR ALZHEIMER'S DISEASE MANFREDI JOHN (US) 2014-09-10 EP disclosed
US-20130261118-A1 COMPOUNDS FOR ALZHEIMER'S DISEASE MANFREDI JOHN (US) 2013-10-03 US disclosed
US-20120225873-A1 COMPOUNDS FOR ALZHEIMER'S DISEASE MYREXIS, INC. (US) 2012-09-06 US disclosed
US-20100184975-A1 COMPOUNDS FOR ALZHEIMBER'S DISEASE MYRIAD PHARMACEUTICALS, INC. (US) 2010-07-22 US disclosed
US-7678823-B2 N-phenylindoles; oral dosage forms; side effect reduction Myriad Pharmaceticals, Inc. (US) 2010-03-16 US disclosed
US-20080249135-A1 N-phenylindoles; oral dosage forms; side effect reduction MYRIAD GENETICS, INCORPORATED (US) 2008-10-09 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 (4 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-20130261118-A1 COMPOUNDS FOR ALZHEIMER'S DISEASE SLC18A2, SLC18A3, NLN PTGS2 3557/4885PTGS1 3782/4885MAPT 10/4885
US-20080249135-A1 N-phenylindoles; oral dosage forms; side effect reduction NCL, PSEN2, CCNO PTGS2 2258/4885PTGS1 3188/4885MAPT 46/4885
US-20100184975-A1 COMPOUNDS FOR ALZHEIMBER'S DISEASE PSEN2, PSEN1, CLN6 PTGS2 2061/4885PTGS1 3165/4885MAPT 28/4885
US-20120225873-A1 COMPOUNDS FOR ALZHEIMER'S DISEASE PSEN2, CHAT, PSEN1 PTGS2 2642/4885PTGS1 3665/4885MAPT 24/4885

“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.