SCHEMBL22886451

SCHEMBL22886451

CCOC(=O)/C=C(/N)c1ccc(I)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAOA P21397 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
CA12 O43570 3/20 0.39
CA7 P43166 3/20 0.39
CA9 Q16790 3/20 0.39
CA14 Q9ULX7 3/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
PARP10 Q53GL7 1/20 0.38
TPMT P51580 1/20 0.37
F2 P00734 4/20 0.36
PLG P00747 1/20 0.36

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
SCHEMBL30189336 1.00 LMNA (0.41) LMNACYP1A2CYP3A4MAOANPSR1
SCHEMBL30189372 0.87 MAPT (0.44) LMNACYP1A2CYP3A4MAOANPSR1
SCHEMBL28665696 0.84 SMN1; SMN2 (0.49) LMNACYP1A2CYP3A4MAOANPSR1
SCHEMBL1144241 0.84 MAPT (0.46) LMNACYP1A2CYP3A4MAOANPSR1
SCHEMBL20028730 0.84 MAPT (0.47) LMNACYP1A2CYP3A4MAOANPSR1
SCHEMBL30189419 0.84 MAPT (0.47) LMNACYP1A2CYP3A4MAOANPSR1
SCHEMBL1144240 0.84 MAPT (0.46) LMNACYP1A2CYP3A4MAOANPSR1
SCHEMBL1144606 0.83 MAPT (0.50) LMNANPSR1RAB9A
SCHEMBL8227037 0.83 MAPT (0.50) LMNANPSR1RAB9A
SCHEMBL1144604 0.83 MAPT (0.50) LMNANPSR1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210009564-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPERTICS INC (US) 2021-01-14 US 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-20210009564-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF CAPNS1, CAPN9, CAPN1 LMNA 674/4885CYP1A2 4602/4885CYP3A4 4736/4885

“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.