SCHEMBL4072268

SCHEMBL4072268

C1CNCC2CCNC2C1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MBTD1 Q05BQ5 2/20 0.36
L3MBTL3 Q96JM7 2/20 0.36
SLC6A1 P30531 2/20 0.35
SLC6A11 P48066 1/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC6A13 Q9NSD5 1/20 0.35
APLNR P35414 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
NOS2 P35228 1/20 0.34
CYP2D6 P10635 1/20 0.34
CCR5 P51681 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL4129266 0.91 MBTD1 (0.36) MBTD1L3MBTL3SLC6A1SLC6A11TSHR
SCHEMBL9142378 0.91 MBTD1 (0.40) MBTD1L3MBTL3SLC6A1SLC6A11TSHR
SCHEMBL13351747 0.91 MBTD1 (0.36) MBTD1L3MBTL3SLC6A1SLC6A11TSHR
SCHEMBL2273760 0.91 MBTD1 (0.40) MBTD1L3MBTL3SLC6A1SLC6A11TSHR
SCHEMBL5680966 0.86 EPAS1 (0.35) MBTD1L3MBTL3SLC6A1SLC6A11TSHR
SCHEMBL474458 0.85
SCHEMBL10062075 0.85
SCHEMBL20758469 0.85
SCHEMBL10061318 0.85
SCHEMBL26123900 0.84 MBTD1 (0.35) MBTD1L3MBTL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017071636-A1 PHTHALAZINE KETONE DERIVATIVE, AND PREPARATION METHOD AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2017-05-04 WO disclosed
US-20160326157-A1 MONOBACTAMS AND METHODS OF THEIR SYNTHESIS AND USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-11-10 US disclosed
US-20090325992-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
EP-2055705-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF Ono Pharmaceutical CO., LTD. (JP) 2009-05-06 EP 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 (2 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-20160326157-A1 MONOBACTAMS AND METHODS OF THEIR SYNTHESIS AND USE MGAM, BPGM, MRPL21 MBTD1 2314/4885L3MBTL3 3592/4885SLC6A1 2771/4885
US-20090325992-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF CXCR4, CXCL12, CXCR1 MBTD1 3711/4885L3MBTL3 2865/4885SLC6A1 481/4885

“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.