SCHEMBL1913191

SCHEMBL1913191

O=C1COSc2ccccc2N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.47
CREBBP Q92793 4/20 0.47
ALDH1A1 P00352 3/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 5/20 0.42
GAA P10253 4/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPK1 P28482 2/20 0.42
CYP1A2 P05177 1/20 0.42
BCHE P06276 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
MAOA P21397 1/20 0.42
CNR1 P21554 1/20 0.42

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
SCHEMBL15087901 0.82 NPC1 (0.46) BRD4CREBBPALDH1A1TSHRSMN1; SMN2
SCHEMBL13323 0.71 ALDH1A1 (0.60) BRD4CREBBPALDH1A1TSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL30648399 0.69 ALDH1A1 (0.58) BRD4CREBBPALDH1A1TSHRSMN1; SMN2
SCHEMBL8853727 0.68 GAA (0.54) BRD4CREBBPALDH1A1TSHRSMN1; SMN2
SCHEMBL1756087 0.68 HDAC1 (0.51) BRD4CREBBPALDH1A1TSHRSMN1; SMN2
SCHEMBL88746 0.67 MMP12 (0.58) BRD4CREBBPALDH1A1SMN1; SMN2MAPT
SCHEMBL6630243 0.67 BRD4 (0.47) BRD4CREBBPALDH1A1TSHRSMN1; SMN2
SCHEMBL9628939 0.67 NPC1 (0.53) BRD4CREBBPALDH1A1TSHRSMN1; SMN2
SCHEMBL10353389 0.66 ALDH1A1 (0.65) BRD4CREBBPALDH1A1TSHRSMN1; SMN2
SCHEMBL9628996 0.66 MAPT (0.53) BRD4CREBBPALDH1A1TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163773-B2 Organic compounds NOVARTIS AG (CH) 2012-04-24 US disclosed
US-7807709-B2 Organic compounds NOVARTIS AG (CH) 2010-10-05 US disclosed
US-20100160305-A1 3, 4, 5 - Substituted Piperidine Compounds NOVARTIS AG (CH) 2010-06-24 US disclosed
US-20100029647-A1 3,4,(5)-SUBSTITUTED TETRAHYDROPHYRIDINES NOVARTIS AG (CH) 2010-02-04 US disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
US-20090233920-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-17 US disclosed
US-20090137566-A1 Substituted Piperdines as Renin Inhibitors EHARA TAKERU 2009-05-28 US disclosed
US-20080242662-A1 Organic Compounds NIHONYANAGI ATSUKO 2008-10-02 US disclosed
US-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors BAESCHLIN DANIEL KASPAR 2008-08-14 US disclosed
US-20080194549-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-14 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 (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-20100029647-A1 3,4,(5)-SUBSTITUTED TETRAHYDROPHYRIDINES REN, PAH, ACE BRD4 344/4885CREBBP 3751/4885ALDH1A1 412/4885
US-20090233920-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 BRD4 619/4885CREBBP 1615/4885ALDH1A1 39/4885
US-20080242662-A1 Organic Compounds REN, ACE, ECE1 BRD4 1065/4885CREBBP 1343/4885ALDH1A1 13/4885
US-20080194549-A1 Organic Compounds REN, ACE, OTC BRD4 389/4885CREBBP 3369/4885ALDH1A1 224/4885
US-20090137566-A1 Substituted Piperdines as Renin Inhibitors REN, ACE, AGTR1 BRD4 1167/4885CREBBP 1839/4885ALDH1A1 127/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO BRD4 499/4885CREBBP 1184/4885ALDH1A1 36/4885
US-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors REN, ACE, AGTR1 BRD4 892/4885CREBBP 2321/4885ALDH1A1 231/4885
US-20100160305-A1 3, 4, 5 - Substituted Piperidine Compounds REN, ACE, PIGO BRD4 842/4885CREBBP 1721/4885ALDH1A1 56/4885

“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.