SCHEMBL1219263

SCHEMBL1219263

CN1CCN(c2ccc(OCc3ccc(C=O)cc3)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.68
MAPT P10636 6/20 0.50
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
TP53 P04637 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
PKM P14618 1/20 0.48
TRIM24 O15164 1/20 0.47
TRIM33 Q9UPN9 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 2/20 0.46
USP2 O75604 1/20 0.46
ESR2 Q92731 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 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
SCHEMBL208547 0.82 ALDH1A1 (1.00) ALDH1A1MAPTRAB9ANPC1KMT2A
SCHEMBL1217516 0.82 CHKA (0.66) ALDH1A1MAPTRAB9ANPC1KMT2A
SCHEMBL13202898 0.81 RAB9A (0.67) ALDH1A1MAPTRAB9ANPC1KMT2A
SCHEMBL11614936 0.79 RAB9A (0.69) ALDH1A1MAPTRAB9ANPC1KMT2A
SCHEMBL23223734 0.79 RAB9A (0.69) ALDH1A1MAPTRAB9ANPC1KMT2A
SCHEMBL22579268 0.78 ALDH1A1 (0.89) ALDH1A1MAPTKMT2ASMN1; SMN2TRIM24
SCHEMBL7995290 0.76 ALDH1A1 (0.86) ALDH1A1MAPTKMT2ASMN1; SMN2TRIM24
SCHEMBL26819652 0.76 KDM1A (0.47) ALDH1A1MAPTRAB9ANPC1KMT2A
SCHEMBL13904134 0.76 HTR3A (0.61) MAPTRAB9ANPC1KMT2ATP53
Water SCHEMBL28942638 0.75 ALDH1A1 (0.83) ALDH1A1MAPTRAB9ANPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1608369-B1 USE OF ORGANIC COMPOUNDS FOR IMMUNOPOTENTIATION NOVARTIS VACCINES & DIAGNOSTIC (US) 2013-06-26 EP disclosed
EP-1608369-B1 USE OF ORGANIC COMPOUNDS FOR IMMUNOPOTENTIATION NOVARTIS VACCINES & DIAGNOSTIC (US) 2013-06-26 EP disclosed
US-7893096-B2 For example, N-methyl-4-[(2-{[2-(1-methylethyl)phenyl]amino}-1 H-benzimidazol-5-yl)oxy]pyridine-2-carboxamide; administering the compounds alone or in combination with another agent for the treatment of cancer, infectious diseases and/or allergies/asthma NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-02-22 US disclosed
US-7893096-B2 For example, N-methyl-4-[(2-{[2-(1-methylethyl)phenyl]amino}-1 H-benzimidazol-5-yl)oxy]pyridine-2-carboxamide; administering the compounds alone or in combination with another agent for the treatment of cancer, infectious diseases and/or allergies/asthma NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-02-22 US disclosed
US-7893096-B2 For example, N-methyl-4-[(2-{[2-(1-methylethyl)phenyl]amino}-1 H-benzimidazol-5-yl)oxy]pyridine-2-carboxamide; administering the compounds alone or in combination with another agent for the treatment of cancer, infectious diseases and/or allergies/asthma NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-02-22 US disclosed
US-20090285849-A1 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2009-11-19 US disclosed
US-20090285849-A1 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2009-11-19 US disclosed
US-20090285849-A1 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2009-11-19 US disclosed
US-7521062-B2 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2009-04-21 US disclosed
US-7521062-B2 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2009-04-21 US disclosed
US-20060257852-A1 Severe acute respiratory syndrome coronavirus CHIRON CORPORATION (US) 2006-11-16 US disclosed
CN-1829736-A severe acute respiratory syndrome coronavirus CHIRON CORP (US) 2006-09-06 CN disclosed
EP-1618127-A2 THE SEVERE ACUTE RESPIRATORY SYNDROME CORONAVIRUS CHIRON CORPORATION (US) 2006-01-25 EP disclosed
EP-1608369-A2 USE OF ORGANIC COMPOUNDS FOR IMMUNOPOTENTIATION CHIRON CORPORATION (US) 2005-12-28 EP disclosed
EP-1587473-A2 THIOSEMICARBAZONES AS ANTI-VIRALS AND IMMUNOPOTENTIATORS CHIRON CORPORATION (US) 2005-10-26 EP disclosed
US-20050136065-A1 Use of small molecule compounds for immunopotentiation CHIRON CORPORATION (US) 2005-06-23 US disclosed
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2005-03-31 US disclosed
WO-2004092360-A2 THE SEVERE ACUTE RESPIRATORY SYNDROME CORONAVIRUS CHIRON CORPORATION (US) 2004-10-28 WO disclosed
WO-2004087153-A2 USE OF ORGANIC COMPOUNDS FOR IMMUNOPOTENTIATION CHIRON CORPORATION (US) 2004-10-14 WO disclosed
WO-2004060308-A2 THIOSEMICARBAZONES AS ANTI-VIRALS AND IMMUNOPOTENTIATORS CHIRON CORPORATION (US) 2004-07-22 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 (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-20090285849-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 ALDH1A1 1459/4885MAPT 3619/4885RAB9A 2667/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 ALDH1A1 1173/4885MAPT 3876/4885RAB9A 2447/4885
US-20060257852-A1 Severe acute respiratory syndrome coronavirus SARS1, ACE2, ACE ALDH1A1 4337/4885MAPT 3605/4885RAB9A 714/4885
US-20050136065-A1 Use of small molecule compounds for immunopotentiation ICOS, CD14, LCP2 ALDH1A1 4009/4885MAPT 3442/4885RAB9A 890/4885

“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.