SCHEMBL89210

SCHEMBL89210

COCCCOc1cc([N+](=O)[O-])ccc1C

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
ALDH1A1 P00352 6/20 0.55
HPGD P15428 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
CYP3A4 P08684 2/20 0.51
NPC1 O15118 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
RAB9A P51151 1/20 0.51
TSHR P16473 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
LMNA P02545 3/20 0.49
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HTT P42858 2/20 0.47
POLB P06746 1/20 0.46
CYP19A1 P11511 6/20 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
SCHEMBL27630962 0.86 CYP19A1 (0.55) MAPTALDH1A1HPGDSMN1; SMN2CYP3A4
SCHEMBL8240311 0.85 MAPT (0.65) MAPTALDH1A1HPGDSMN1; SMN2CYP3A4
SCHEMBL22589459 0.84 MAPT (0.50) MAPTALDH1A1HPGDSMN1; SMN2CYP3A4
SCHEMBL29365209 0.84 MAPT (0.50) MAPTALDH1A1HPGDSMN1; SMN2CYP3A4
SCHEMBL21331700 0.84 MAPT (0.60) MAPTALDH1A1HPGDSMN1; SMN2CYP3A4
SCHEMBL16943506 0.83 ALDH1A1 (0.53) MAPTALDH1A1HPGDSMN1; SMN2CYP3A4
SCHEMBL11820701 0.83 ALDH1A1 (0.51) MAPTALDH1A1HPGDSMN1; SMN2CYP3A4
SCHEMBL9655337 0.83 MAPT (0.53) MAPTALDH1A1HPGDSMN1; SMN2CYP3A4
SCHEMBL16063141 0.83 ALDH1A1 (0.51) MAPTALDH1A1HPGDSMN1; SMN2CYP3A4
SCHEMBL13788938 0.82 MAPT (0.56) MAPTALDH1A1HPGDSMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20080242662-A1 Organic Compounds NIHONYANAGI ATSUKO 2008-10-02 US disclosed
WO-2006128659-A2 PIPERAZINE DERIVATIVE RENIN INHIBITORS. NOVARTIS AG (CH) 2006-12-07 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-20080242662-A1 Organic Compounds REN, ACE, ECE1 MAPT 1863/4885ALDH1A1 13/4885HPGD 494/4885
US-20090192148-A1 Organic Compounds REN, ACE, AGTR1 MAPT 1089/4885ALDH1A1 38/4885HPGD 723/4885
US-20110263560-A1 Organic Compounds REN, ACE, OTC MAPT 1212/4885ALDH1A1 21/4885HPGD 343/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO MAPT 1109/4885ALDH1A1 36/4885HPGD 225/4885

“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.