SCHEMBL3605937

SCHEMBL3605937

CCCc1nn(C)c(Cl)c1C=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.37
LMNA P02545 5/20 0.37
NPC1 O15118 5/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
SMN1; SMN2 Q16637 5/20 0.35
MAPT P10636 3/20 0.34
ATM Q13315 2/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
NR1I2 O75469 1/20 0.33
AHR P35869 1/20 0.33
POLB P06746 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NMT1 P30419 1/20 0.31

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
SCHEMBL2931596 0.85 GAA (0.40) L3MBTL1SMN1; SMN2MAPTMAPK8MAPK9
SCHEMBL29957828 0.83 LMNA (0.30) RAB9ALMNANPC1
SCHEMBL29953870 0.81 GLP1R (0.30) GLP1R
SCHEMBL29955801 0.80
SCHEMBL29955066 0.79 SMN1; SMN2 (0.35) RAB9ALMNANPC1SMN1; SMN2PDE5A
SCHEMBL29953923 0.78
SCHEMBL29951616 0.78
SCHEMBL964962 0.77 L3MBTL1 (0.35) L3MBTL1SMN1; SMN2ALDH1A1CYP1A2CYP2C9
SCHEMBL2558226 0.77 NMT1 (0.36) L3MBTL1CYP1A2CYP2C9CYP2C19NMT1
SCHEMBL29953107 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20100016396-A1 PYRAZOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-21 US disclosed
EP-2128138-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-12-02 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 (1 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-20100016396-A1 PYRAZOLE COMPOUND SLC5A1, SLC5A2, GLP1R RAB9A 3163/4885LMNA 4306/4885NPC1 985/4885

“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.