SCHEMBL4483430

SCHEMBL4483430

O=C(Sc1ccccn1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
KMT2A Q03164 3/20 0.54
MAPT P10636 2/20 0.54
POLB P06746 1/20 0.49
EHMT2 Q96KQ7 1/20 0.48
EHMT1 Q9H9B1 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
HPGD P15428 4/20 0.44
HSD17B10 Q99714 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALOX15 P16050 1/20 0.44
LMNA P02545 2/20 0.44
NAPRT Q6XQN6 1/20 0.44
P4HTM Q9NXG6 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM6B O15054 1/20 0.43
KDM4A O75164 1/20 0.43

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
SCHEMBL5089864 0.89 KMT2A (0.46) ALDH1A1KMT2AMAPTPOLBEHMT2
SCHEMBL10126446 0.87 POLB (0.45) ALDH1A1KMT2AMAPTPOLBEHMT2
SCHEMBL3024916 0.86 NPC1 (0.61) ALDH1A1KMT2AMAPTPOLBEHMT2
SCHEMBL5095511 0.86 ALDH1A1 (0.50) ALDH1A1KMT2AMAPTEHMT2EHMT1
SCHEMBL6937212 0.86 TLR7 (0.49) ALDH1A1KMT2AMAPTPOLBEHMT2
SCHEMBL2259597 0.82 POLB (0.55) ALDH1A1KMT2AMAPTPOLBHPGD
SCHEMBL3822586 0.82 CA1 (0.46) ALDH1A1KMT2AMAPTPOLBHPGD
SCHEMBL6420708 0.82 MAPT (0.59) ALDH1A1KMT2AMAPTPOLBHPGD
SCHEMBL6511271 0.82 POLB (0.41) ALDH1A1KMT2AMAPTPOLBEHMT2
SCHEMBL17662589 0.82 NPC1 (0.45) ALDH1A1KMT2AMAPTPOLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7488832-B2 e.g. N-[amino(imino)methyl]-2-[2-(4-phenoxyphenyl)-5-phenyl-1H-pyrrol-1-yl]acetamide; beta -amyloid deposits and neurofibrillary tangles; cognition activator, neurodegenerative diseases; Alzheimer's disease, Down's syndrome WYETH (US) 2009-02-10 US disclosed
US-7488832-B2 e.g. N-[amino(imino)methyl]-2-[2-(4-phenoxyphenyl)-5-phenyl-1H-pyrrol-1-yl]acetamide; beta -amyloid deposits and neurofibrillary tangles; cognition activator, neurodegenerative diseases; Alzheimer's disease, Down's syndrome WYETH (US) 2009-02-10 US disclosed
US-7488832-B2 e.g. N-[amino(imino)methyl]-2-[2-(4-phenoxyphenyl)-5-phenyl-1H-pyrrol-1-yl]acetamide; beta -amyloid deposits and neurofibrillary tangles; cognition activator, neurodegenerative diseases; Alzheimer's disease, Down's syndrome WYETH (US) 2009-02-10 US disclosed
US-20080287424-A1 AZOLYLACYLGUANIDINES AS beta-SECRETASE INHIBITORS WYETH (US) 2008-11-20 US disclosed
US-20080287424-A1 AZOLYLACYLGUANIDINES AS beta-SECRETASE INHIBITORS WYETH (US) 2008-11-20 US disclosed
US-20080287424-A1 AZOLYLACYLGUANIDINES AS beta-SECRETASE INHIBITORS WYETH (US) 2008-11-20 US disclosed
US-7323561-B2 Metal complexation of 1-acyldipyrromethanes and porphyrins formed therefrom NORTH CAROLINA STATE UNIVERSITY (US) 2008-01-29 US disclosed
EP-1848692-A1 AZOLYLACYLGUANIDINES AS ß-SECRETASE INHIBITORS Wyeth (US) 2007-10-31 EP disclosed
WO-2006088711-A1 AZOLYLACYLGUANIDINES AS β-SECRETASE INHIBITORS WYETH (US) 2006-08-24 WO disclosed
US-20060183790-A1 Azolylacylguanidines as beta-secretase inhibitors WYETH (US) 2006-08-17 US disclosed
US-20060183790-A1 Azolylacylguanidines as beta-secretase inhibitors WYETH (US) 2006-08-17 US disclosed
US-20060183790-A1 Azolylacylguanidines as beta-secretase inhibitors WYETH (US) 2006-08-17 US disclosed
US-20060142562-A1 Metal complexation of 1-acyldipyrromethanes and porphyrins formed therefrom NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-06-29 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 (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-20080287424-A1 AZOLYLACYLGUANIDINES AS beta-SECRETASE INHIBITORS BACE1, BACE2, APP ALDH1A1 360/4885KMT2A 634/4885MAPT 30/4885
US-20060183790-A1 Azolylacylguanidines as beta-secretase inhibitors BACE1, BACE2, APP ALDH1A1 360/4885KMT2A 634/4885MAPT 30/4885
US-20060142562-A1 Metal complexation of 1-acyldipyrromethanes and porphyrins formed therefrom AP1M1, AP3M1, DDT ALDH1A1 444/4885KMT2A 598/4885MAPT 4504/4885

“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.