SCHEMBL23487546

SCHEMBL23487546

CC(C)(C)c1cncc(-c2ccccc2-c2cc(Cl)cc(-c3ccccc3-c3ccccc3)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SHMT1 P34896 1/20 0.41
CNR1 P21554 4/20 0.40
CNR2 P34972 2/20 0.40
METAP2 P50579 1/20 0.38
KIF11 P52732 2/20 0.36
PDK2 Q15119 2/20 0.36
MAP4K4 O95819 1/20 0.34
SMO Q99835 1/20 0.33
CYP2A6 P11509 1/20 0.33
KDR P35968 1/20 0.33
CHRM1 P11229 1/20 0.33
MET P08581 1/20 0.33

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
SCHEMBL23487647 0.96 CNR1 (0.39) SHMT1CNR1CNR2METAP2KIF11
SCHEMBL23487648 0.81 CNR1 (0.48) CNR1METAP2PDK2MAP4K4SMO
SCHEMBL23487739 0.79 KIF11 (0.38) SHMT1KIF11
SCHEMBL7232205 0.78 METAP2 (0.49) SHMT1CNR1METAP2PDK2MAP4K4
SCHEMBL7809372 0.78 KIF11 (0.52) KIF11
SCHEMBL23487657 0.77 LIPG (0.43) SHMT1KIF11KDR
SCHEMBL23487551 0.77 CYP2A6 (0.36) KIF11CYP2A6
SCHEMBL23487538 0.76 CYP2A6 (0.54) CNR1CNR2METAP2CYP2A6
SCHEMBL23487641 0.75 CYP2A6 (0.45) SHMT1METAP2PDK2CYP2A6
SCHEMBL23928348 0.75 KDM4E (0.42) CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230056324-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2023-02-23 US disclosed
WO-2021110720-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2021-06-10 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 (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-20230056324-A1 METAL COMPLEXES MCU, IMMT, SOD1 SHMT1 4572/4885CNR1 4473/4885CNR2 4231/4885

“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.