SCHEMBL3418234

SCHEMBL3418234

CC(C)(C)Nc1cc(C(C)(C)C)nc(Cl)n1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HRH4 Q9H3N8 1/20 0.42
CYP1A2 P05177 1/20 0.40
PDE4A P27815 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.37
ESR1 P03372 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GLP1R P43220 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL9084722 0.86 SMN1; SMN2 (0.54) LMNASMN1; SMN2CYP1A2PDE4ACYP2C19
SCHEMBL3232859 0.80 SMN1; SMN2 (0.48) LMNASMN1; SMN2CYP1A2PDE4ACYP2C19
SCHEMBL12257760 0.79 HRH4 (0.53) LMNASMN1; SMN2HRH4CYP1A2PDE4A
SCHEMBL2625502 0.75 HRH4 (0.47) LMNASMN1; SMN2HRH4NPC1RAB9A
SCHEMBL18063484 0.74 NPC1 (0.51) LMNAHRH4CYP1A2CYP2C19NPC1
SCHEMBL13456809 0.74 HRH4 (0.38) HRH4ESR1
SCHEMBL29438115 0.73 HRH4 (0.49) LMNASMN1; SMN2HRH4NPC1KMT2A
SCHEMBL9284715 0.73 SMN1; SMN2 (0.43) LMNASMN1; SMN2CYP1A2PDE4ACYP2C19
SCHEMBL2721824 0.73 HRH4 (0.49) LMNASMN1; SMN2HRH4NPC1KMT2A
SCHEMBL3220814 0.70 MEN1 (0.59) LMNASMN1; SMN2HRH4NPC1RAB9A

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
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-12-30 US disclosed
US-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 US disclosed
US-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 US disclosed
US-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 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 (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-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS GATAD2B, GATAD2A, RUNX1 LMNA 4521/4885SMN1; SMN2 2766/4885HRH4 1793/4885
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES DDT, ACHE, TPM3 LMNA 1536/4885SMN1; SMN2 1080/4885HRH4 3676/4885

“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.