SCHEMBL15099355

SCHEMBL15099355

O=C(C(c1ccccc1)c1ccccc1)n1ccnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.54
MGLL Q99685 1/20 0.54
HMOX2 P30519 1/20 0.48
CYP19A1 P11511 2/20 0.47
KDM4E B2RXH2 2/20 0.43
TSHR P16473 1/20 0.43
TBXAS1 P24557 2/20 0.43
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 2/20 0.42
ADRB2 P07550 1/20 0.42
QPCT Q16769 1/20 0.42
MEN1 O00255 1/20 0.41
NR1I2 O75469 1/20 0.41
USP2 O75604 1/20 0.41
ABCB11 O95342 1/20 0.41
PLA2G1B P04054 1/20 0.41
TP53 P04637 1/20 0.41
CYP17A1 P05093 1/20 0.41
PGR P06401 1/20 0.41

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
SCHEMBL1260765 0.85 FAAH (0.52) FAAHMGLLHMOX2CYP19A1KDM4E
SCHEMBL10584100 0.81 CYP19A1 (0.49) FAAHMGLLHMOX2CYP19A1ALDH1A1
SCHEMBL28098359 0.80 FAAH (0.48) FAAHMGLLHMOX2CYP19A1TBXAS1
SCHEMBL2481523 0.80 FAAH (0.48) FAAHMGLLHMOX2CYP19A1SMN1; SMN2
SCHEMBL13086637 0.80 FAAH (0.48) FAAHMGLLHMOX2CYP19A1TBXAS1
SCHEMBL7239641 0.76 FAAH (0.50) FAAHMGLLHMOX2CYP19A1TBXAS1
SCHEMBL6299525 0.74 HMOX2 (0.50) FAAHMGLLHMOX2CYP19A1KDM4E
SCHEMBL6301915 0.74 HMOX2 (0.50) FAAHMGLLHMOX2CYP19A1KDM4E
SCHEMBL11577250 0.73 TBXAS1 (0.56) FAAHMGLLHMOX2CYP19A1TBXAS1
SCHEMBL11883680 0.73 HMOX2 (0.68) HMOX2CYP19A1TBXAS1ALDH1A1QPCT

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-10370388-B2 Heterocyclic compounds and methods of their use NOVARTIS AG (CH) 2019-08-06 US disclosed
US-20170145032-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF THEIR USE SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2017-05-25 US disclosed
US-20170145032-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF THEIR USE SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2017-05-25 US disclosed
US-9624243-B2 Heterocyclic compounds and methods of their use NOVARTIS AG (CH) 2017-04-18 US disclosed
US-9624243-B2 Heterocyclic compounds and methods of their use NOVARTIS AG (CH) 2017-04-18 US disclosed
US-20140378430-A1 Heterocyclic Compounds and Methods of Their Use SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2014-12-25 US disclosed
US-20140378430-A1 Heterocyclic Compounds and Methods of Their Use SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2014-12-25 US disclosed
WO-2013102242-A1 HETEROCYCLIC COMPOUNDS AND METHODS FOR THEIR USE SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2013-07-11 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 (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-10370388-B2 Heterocyclic compounds and methods of their use AGTR2, AGTR1, BDKRB2 FAAH 1134/4885MGLL 4827/4885HMOX2 571/4885
US-20140378430-A1 Heterocyclic Compounds and Methods of Their Use AGTR2, AGTR1, BDKRB2 FAAH 1119/4885MGLL 4831/4885HMOX2 583/4885
US-20170145032-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF THEIR USE AGTR2, AGTR1, BDKRB2 FAAH 1119/4885MGLL 4831/4885HMOX2 583/4885

“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.