SCHEMBL12091852

SCHEMBL12091852

O=C(O)CCc1c(-c2ccccc2)n(-c2cccnc2)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IL1R1 P14778 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ TBXAS1 P24557 6/20 0.47
▸ EGFR P00533 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ MDM2 Q00987 1/20 0.41
▸ FOLH1 Q04609 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPK1 P28482 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
SCHEMBL12091853 0.93 TBXAS1 (0.53) IL1R1ALDH1A1MAPTMEN1HTT
SCHEMBL12091851 0.88 ABCB1 (0.51) IL1R1ALDH1A1MAPTMEN1HTT
SCHEMBL12091715 0.87 IL1R1 (0.67) IL1R1ALDH1A1MAPTMEN1HTT
SCHEMBL11126713 0.86 PLA2G4A (0.53) ALDH1A1TBXAS1EGFRALOX12MDM2
SCHEMBL12091849 0.80 AGTR1 (0.53) IL1R1ALDH1A1MAPTMEN1HTT
SCHEMBL12091723 0.80 IL1R1 (0.63) IL1R1ALDH1A1MAPTMEN1HTT
SCHEMBL11035273 0.79 TBXAS1 (0.51) TBXAS1EGFRALOX12
SCHEMBL10998206 0.74 HTR7 (0.57) TBXAS1
SCHEMBL12091706 0.74 IL1R1 (0.61) IL1R1ALDH1A1MAPTMEN1HTT
SCHEMBL11098148 0.73 PLA2G2A (0.46) TBXAS1ALOX12MDM2FOLH1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9216966-B2 Compounds for Alzheimer's disease Manfredi, John (US) 2015-12-22 — — US disclosed
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
US-9034871-B2 Compounds for Alzheimer's disease Manfredi, John (US) 2015-05-19 — — US disclosed
US-20120225845-A1 COMPOUNDS FOR DISEASES AND DISORDERS MYREXIS, INC. (US) 2012-09-06 — — US disclosed
US-20120225845-A1 COMPOUNDS FOR DISEASES AND DISORDERS MYREXIS, INC. (US) 2012-09-06 — — US disclosed
US-20120225873-A1 COMPOUNDS FOR ALZHEIMER'S DISEASE MYREXIS, INC. (US) 2012-09-06 — — 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-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-7678823-B2 N-phenylindoles; oral dosage forms; side effect reduction Myriad Pharmaceticals, Inc. (US) 2010-03-16 — — US disclosed
US-20090099179-A1 COMPOUNDS FOR DISEASES AND DISORDERS MYRIAD GENETICS, INCORPORATED (US) 2009-04-16 — — US disclosed
US-20090099179-A1 COMPOUNDS FOR DISEASES AND DISORDERS MYRIAD GENETICS, INCORPORATED (US) 2009-04-16 — — US disclosed
US-20080249135-A1 N-phenylindoles; oral dosage forms; side effect reduction MYRIAD GENETICS, INCORPORATED (US) 2008-10-09 — — US disclosed
US-20080249135-A1 N-phenylindoles; oral dosage forms; side effect reduction MYRIAD GENETICS, INCORPORATED (US) 2008-10-09 — — US disclosed
WO-2007115306-A2 COMPOUNDS FOR DISEASES AND DISORDERS MYRIAD GENETICS, INC. (US) 2007-10-11 — — 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 (5 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-20090099179-A1 COMPOUNDS FOR DISEASES AND DISORDERS CLN6, NLN, CLTC IL1R1 4881/4885ALDH1A1 1938/4885MAPT 657/4885
US-20120225845-A1 COMPOUNDS FOR DISEASES AND DISORDERS CLN6, NLN, CLTC IL1R1 4881/4885ALDH1A1 1938/4885MAPT 657/4885
US-20080249135-A1 N-phenylindoles; oral dosage forms; side effect reduction NCL, PSEN2, CCNO IL1R1 4718/4885ALDH1A1 2795/4885MAPT 46/4885
US-20100184975-A1 COMPOUNDS FOR ALZHEIMBER'S DISEASE PSEN2, PSEN1, CLN6 IL1R1 4499/4885ALDH1A1 1225/4885MAPT 28/4885
US-20120225873-A1 COMPOUNDS FOR ALZHEIMER'S DISEASE PSEN2, CHAT, PSEN1 IL1R1 4843/4885ALDH1A1 1321/4885MAPT 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.

Send feedback